ABSTRACT
Compounds not containing carbon Aluminum monofluoride AlF 1 .53 ± 0 .15 1 Ammonia H3N 1 .4718 ± 0 .0002 5 Arsenic(III) chloride AsCl3 1 .59 ± 0 .08 1 Arsenic(III) fluoride AsF3 2 .59 ± 0 .05 1 Arsine AsH3 0 .217 ± 0 .003 5 Barium oxide BaO 7 .954 ± 0 .003 5 Barium sulfide BaS 10 .86 ± 0 .02 3 Bromine chloride BrCl 0 .519 ± 0 .004 3 Bromine dioxide BrO2 2 .8 ± 0 .1 18 Bromine fluoride BrF 1 .422 ± 0 .016 3 Bromine oxide BrO 1 .76 ± 0 .04 2 Bromine pentafluoride BrF5 1 .51 ± 0 .15 1 Bromosilane BrH3Si 1 .319 3 Bromotrifluorosilane BrF3Si 0 .835 ± 0 .007 64 Calcium monochloride CaCl ≈3 .6 4 Cesium chloride ClCs 10 .387 ± 0 .004 2 Cesium fluoride CsF 7 .884 ± 0 .001 2 Cesium sodium CsNa 4 .75 ± 0 .20 2 Chlorine fluoride ClF 0 .888061 5 Chlorine oxide ClO 1 .297 ± 0 .001 5 Chlorine trifluoride ClF3 0 .6 ± 0 .1 1 Chloroborane BClH2 0 .75 ± 0 .05 14 Chlorogermane ClGeH3 2 .13 ± 0 .02 1 Chlorosilane ClH3Si 1 .31 ± 0 .01 1 Chlorosyl fluoride ClFO 1 .93 ± 0 .02 55 Chlorotrifluorosilane ClF3Si 0 .636 ± 0 .004 5 Chromium monoxide CrO 3 .88 ± 0 .13 5 Copper(I) fluoride CuF 5 .77 ± 0 .29 2 Copper(II) oxide CuO 4 .5 ± 0 .5 5 Dichlorosilane Cl2H2Si 1 .17 ± 0 .02 1 Difluoramine F2HN 1 .92 ± 0 .02 1 Difluorine dioxide F2O2 1 .44 ± 0 .07 1 Difluoroborane BF2H 0 .971 ± 0 .010 8 cis-Difluorodiazine F2N2 0 .16 ± 0 .01 1 Difluorosilane F2H2Si 1 .55 ± 0 .02 1 Difluorosilylene F2Si 1 .23 ± 0 .02 2 Disiloxane H6OSi2 0 .24 ± 0 .02 1 Fluoramine FH2N 2 .27 ± 0 .18 5 Fluorine azide FN3 ≈1 .3 5 Fluorine monoxide F2O 0 .308180 5 Fluorine oxide FO 0 .0043 ± 0 .0004 5 Fluoroborane BF ≈0 .5 2 Fluorogermane FGeH3 2 .33 ± 0 .12 2 Fluorosilane FH3Si 1 .2969 ± 0 .0006 5 Gallium monofluoride FGa 2 .45 ± 0 .05 2 Germanium(II) fluoride F2Ge 2 .61 ± 0 .02 2 Germanium(II) oxide GeO 3 .2823 ± 0 .0001 2 Germanium(II) selenide GeSe 1 .65 ± 0 .05 2 Germanium(II) sulfide GeS 2 .00 ± 0 .06 2 Germanium(II) telluride GeTe 1 .06 ± 0 .07 2 Germylazide GeH3N3 2 .58 ± 0 .02 25 Hafnium monoxide HfO 3 .431 ± 0 .005 26 Hafnium(IV) oxide HfO2 7 .92 ± 0 .01 39 Hexaborane(10) B6H10 2 .50 ± 0 .05 3
Hydrazine H4N2 1 .75 ± 0 .09 1 Hydrazoic acid HN3 1 .70 ± 0 .09 3 Hydrogen bromide BrH 0 .8272 ± 0 .0003 3 Hydrogen chloride ClH 1 .1086 ± 0 .0003 3 Hydrogen fluoride FH 1 .826178 2 Hydrogen iodide HI 0 .448 ± 0 .001 2 Hydrogen peroxide H2O2 1 .573 ± 0 .001 65 Hydrogen sulfide H2S 0 .97833 5 Hydroxyl HO 1 .655 ± 0 .001 5 Hydroxylamine H3NO 0 .59 ± 0 .05 2 Hypochlorous acid ClHO ≈1 .3 2 Hypofluorous acid FHO 2 .23 ± 0 .11 3 Imidogen HN 1 .39 ± 0 .07 3 Indium(I) chloride ClIn 3 .79 ± 0 .19 2 Indium(I) fluoride FIn 3 .40 ± 0 .07 2 Iodine bromide BrI 0 .726 ± 0 .003 5 Iodine chloride ClI 1 .24 ± 0 .02 2 Iodine fluoride FI 1 .948 ± 0 .020 3 Iodine monoxide IO 2 .45 ± 0 .05 2 Iodine pentafluoride F5I 2 .18 ± 0 .11 1 Lanthanum monoxide LaO 3 .207 ± 0 .011 26 Lead(II) oxide OPb 4 .64 ± 0 .50 2 Lead(II) sulfide PbS 3 .59 ± 0 .18 2 Lithium bromide BrLi 7 .268 ± 0 .001 2 Lithium chloride ClLi 7 .12887 2 Lithium fluoride FLi 6 .3274 ± 0 .0002 3 Lithium fluoride-sodium
fluoride complex FLi•FNa 2 .62 ± 0 .02 51
Lithium hydride HLi 5 .884 ± 0 .001 2 Lithium hydroxide HLiO 4 .754 ± 0 .002 3 Lithium iodide ILi 7 .428 ± 0 .001 2 Lithium monoxide LiO 6 .84 ± 0 .03 2 Lithium potassium KLi 3 .45 ± 0 .20 2 Lithium rubidium LiRb 4 .0 ± 0 .1 2 Lithium sodium LiNa 0 .463 ± 0 .002 2 Magnesium oxide MgO 6 .2 ± 0 .6 5 Mercapto HS 0 .7580 ± 0 .0001 3 Nitric acid HNO3 2 .17 ± 0 .02 1 Nitric oxide NO 0 .15872 2 Nitrogen dioxide NO2 0 .316 ± 0 .010 1 Nitrogen sulfide NS 1 .81 ± 0 .02 2 Nitrogen trichloride Cl3N 0 .39 ± 0 .01 3 Nitrogen trifluoride F3N 0 .235 ± 0 .004 1 Nitrogen trioxide N2O3 2 .122 ± 0 .010 2 Nitrosyl bromide BrNO ≈1 .8 1 Nitrosyl fluoride FNO 1 .730 ± 0 .003 3 Nitrosyl hydride HNO 1 .62 ± 0 .03 3 Nitrous acid (cis) HNO2 1 .423 ± 0 .005 2 Nitrous acid (trans) HNO2 1 .855 ± 0 .016 2 Nitrous oxide N2O 0 .16083 3 Nitryl chloride ClNO2 0 .53 1 Nitryl fluoride FNO2 0 .466 ± 0 .005 2 Ozone O3 0 .53373 3 Pentaborane(9) B5H9 2 .13 ± 0 .04 1 Perchloryl fluoride ClFO3 0 .023 ± 0 .001 3 Peroxynitrous acid HNO 1 .07 ± 0 .002 46
Peroxynitric acid HNO4 1 .99 ± 0 .02 67 Phosphine H3P 0 .5740 ± 0 .0003 3 Phosphorothioc trifluoride F3PS 0 .64 ± 0 .02 1 Phosphorus(III) chloride Cl3P 0 .56 ± 0 .02 2 Phosphorus(III) fluoride F3P 1 .03 ± 0 .01 1 Phosphorus monoxide OP 1 .88 ± 0 .07 5 Phosphorus nitride NP 2 .7470 ± 0 .0001 2 Phosphoryl chloride Cl3OP 2 .54 ± 0 .05 2 Phosphoryl fluoride F3OP 1 .8685 ± 0 .0001 3 Potassium bromide BrK 10 .628 ± 0 .001 2 Potassium chloride ClK 10 .269 ± 0 .001 2 Potassium fluoride FK 8 .585 ± 0 .003 2 Potassium hydroxide HKO 7 .415 ± 0 .002 16 Potassium iodide IK ≈10 .8 2 Potassium sodium KNa 2 .693 ± 0 .014 3 Rubidium bromide BrRb ≈10 .9 2 Rubidium chloride ClRb 10 .510 ± 0 .005 2 Rubidium fluoride FRb 8 .5465 ± 0 .0005 2 Rubidium iodide IRb ≈11 .5 2 Rubidium sodium NaRb 3 .1 ± 0 .3 2 Selenium dioxide O2Se 2 .62 ± 0 .05 2 Selenium tetrafluoride F4Se 1 .78 ± 0 .09 2 Silicon monosulfide SSi 1 .73 ± 0 .09 2 Silicon monoxide OSi 3 .0982 2 Silver(I) bromide AgBr 5 .62 ± 0 .03 5 Silver(I) chloride AgCl 6 .08 ± 0 .06 5 Silver(I) fluoride AgF 6 .22 ± 0 .30 2 Silver(I) iodide AgI 4 .55 ± 0 .05 5 Sodium bromide BrNa 9 .1183 ± 0 .0006 2 Sodium chloride ClNa 9 .00117 2 Sodium fluoride FNa 8 .156 ± 0 .001 2 Sodium iodide INa 9 .236 ± 0 .003 2 Stibine H3Sb 0 .12 ± 0 .05 1 Strontium oxide OSr 8 .900 ± 0 .003 2 Sulfur dichloride Cl2S 0 .36 ± 0 .01 3 Sulfur difluoride F2S 1 .05 ± 0 .05 2 Sulfur dioxide O2S 1 .63305 3 Sulfur monofluoride FS 0 .794 ± 0 .02 3 Sulfur monoxide OS 1 .55 ± 0 .02 1 Sulfur oxide (SSO) OS2 1 .47 ± 0 .03 1 Sulfur tetrafluoride F4S 0 .632 ± 0 .003 1 Sulfuryl chloride Cl2O2S 1 .81 ± 0 .04 1 Sulfuryl fluoride F2O2S 1 .12 ± 0 .02 1 Tetraborane(10) B4H10 0 .486 ± 0 .002 3 Tetrafluorohydrazine
(gauche) F4N2 0 .257 ± 0 .002 5
Tetrafluorosilane-ammonia complex
F4Si•H3N 5 .61 ± 0 .02 31
Thallium(I) bromide BrTl 4 .49 ± 0 .05 2 Thallium(I) chloride ClTl 4 .54299 2 Thallium(I) fluoride FTl 4 .2282 ± 0 .0008 2 Thallium(I) iodide ITl 4 .61 ± 0 .07 2 Thionitrosyl chloride (NSCl) ClNS 1 .87 ± 0 .02 2 Thionitrosyl fluoride (NSF) FNS 1 .902 ± 0 .012 2 Thionyl chloride Cl2OS 1 .45 ± 0 .03 1 Thionyl fluoride F2OS 1 .63 ± 0 .01 1
Tin(II) oxide OSn 4 .32 ± 0 .22 2 Tin(II) sulfide SSn 3 .18 ± 0 .16 2 Titanium(II) oxide OTi 2 .96 ± 0 .05 5 Trichlorofluorosilane Cl3FSi 0 .49 ± 0 .01 2 Trichlorosilane Cl3HSi 0 .86 ± 0 .01 2 Trifluoramine oxide F3NO 0 .0390 ± 0 .0004 9 1,1,1-Trifluorodisilane F3H3Si2 2 .03 ± 0 .10 3 Trifluoroiodosilane F3ISi 1 .11 ± 0 .03 5 Trifluorosilane F3HSi 1 .27 ± 0 .03 1 Water H2O 1 .8546 ± 0 .0040 3 Water dimer-hydrogen
bromide complex H4O2•BrH 2 .281 ± 0 .003 48
Water dimer-hydrogen chloride complex
H4O2•ClH 2 .328 ± 0 .003 48
Ytterbium monofluoride FYb 3 .91 ± 0 .04 45 Yttrium monoxide OY 4 .524 ± 0 .007 26 Zirconium(II) oxide OZr 2 .55 ± 0 .01 26 Zirconium(IV) oxide O2Zr 7 .80 ± 0 .02 19
Compounds containing carbon Acenaphthene C12H10 ≈0 .85 1 Acetaldehyde C2H4O 2 .750 ± 0 .006 3 Acetamide C2H5NO 3 .68 ± 0 .03 5 Acetic acid C2H4O2 1 .70 ± 0 .03 2 Acetic anhydride C4H6O3 ≈2 .8 1 Acetone C3H6O 2 .88 ± 0 .03 1 Acetonitrile C2H3N 3 .92519 5 Acetophenone C8H8O 3 .02 ± 0 .06 1 Acetyl chloride C2H3ClO 2 .72 ± 0 .14 1 Acetylene-carbon dioxide
complex C2H2•CO2 0 .161 ± 0 .001 22
Acetylene-carbon monoxide complex
C2H2•CO 0 .311 ± 0 .001 32
Acetylene-carbon oxysulfide trimer complex
C2H2•C3O3S3 1 .23 ± 0 .02 53
Acetylene-hydrogen cyanide complex
C2H2•CHN 3 .29 ± 0 .03 32
Acetyl fluoride C2H3FO 2 .96 ± 0 .03 1 Acrolein (cis) C3H4O 2 .552 ± 0 .003 5 Acrolein (trans) C3H4O 3 .117 ± 0 .004 5 Acrylonitrile C3H3N 3 .92 ± 0 .07 5 Allyl alcohol (gauche) C3H6O 1 .55 ± 0 .08 3 Allyl alcohol (average) C3H6O 1 .60 ± 0 .08 1 Allylamine C3H7N ≈1 .2 1 Aniline C6H7N 1 .13 ± 0 .02 3 Anisole C7H8O 1 .38 ± 0 .07 1 Azulene C10H8 0 .80 ± 0 .02 1 Benzaldehyde C7H6O [3 .0] 7 Benzeneacetonitrile C8H7N [3 .5] 7 Benzene-hydrogen sulfide
complex C6H6•H2S 1 .14 ± 0 .02 40
Benzene-krypton complex C6H6•Kr 0 .136 ± 0 .002 58 Benzene-sulfur dioxide
complex C6H6•O2S 2 .061 ± 0 .002 33
Benzenethiol C6H6S [1 .23] 7 Benzonitrile C7H5N 4 .18 ± 0 .08 1 Benzyl acetate C9H10O2 [1 .22] 7 Benzyl alcohol C7H8O 1 .71 ± 0 .09 1
Benzyl benzoate C14H12O2 [2 .06] 7 Bis(2-aminoethyl)amine C4H13N3 [1 .89] 7 Bis(2-chloroethyl) ether C4H8Cl2O [2 .58] 7 Bis(2-ethylhexyl) phthalate C24H38O4 [2 .84] 7 Borane carbonyl CH3BO 1 .698 ± 0 .020 3 Bromoacetylene C2HBr 0 .22962 5 Bromobenzene C6H5Br 1 .70 ± 0 .03 1 1-Bromobutane C4H9Br 2 .08 ± 0 .10 1 2-Bromobutane C4H9Br 2 .23 ± 0 .11 1 1-Bromo-2-chloroethane C2H4BrCl [1 .2] 7 Bromochlorofluoromethane CHBrClF 1 .5 ± 0 .3 17 Bromochloromethane CH2BrCl [1 .66] 7 1-Bromodecane C10H21Br [1 .93] 7 Bromoethane C2H5Br 2 .04 ± 0 .02 5 Bromoethene C2H3Br 1 .42 ± 0 .03 1 Bromofluoroacetylene C2BrF 0 .448 ± 0 .002 5 1-Bromoheptane C7H15Br 2 .16 ± 0 .11 1 Bromomethane CH3Br 1 .8203 ± 0 .0004 5 2-Bromo-2-methylpropane C4H9Br [2 .17] 7 1-Bromonaphthalene C10H7Br [1 .55] 7 1-Bromopentane C5H11Br 2 .20 ± 0 .11 1 1-Bromopropane C3H7Br 2 .18 ± 0 .11 1 2-Bromopropane C3H7Br 2 .21 ± 0 .11 1 2-Bromopropene C3H5Br [1 .51] 7 3-Bromopropene C3H5Br ≈1 .9 1 Bromotrifluoromethane CBrF3 0 .65 ± 0 .05 1 1,2-Butadiene C4H6 0 .403 ± 0 .002 1 Butanal C4H8O 2 .72 ± 0 .05 1 1,4-Butanediol C4H10O2 [2 .58] 7 Butanenitrile (gauche) C4H7N 3 .91 ± 0 .04 5 Butanenitrile (anti) C4H7N 3 .73 ± 0 .06 5 1-Butanethiol C4H10S [1 .53] 7 Butanoic acid C4H8O2 [1 .65] 7 1-Butanol C4H10O 1 .66 ± 0 .03 1 2-Butanone C4H8O 2 .779 ± 0 .015 2 trans-2-Butenal C4H6O 3 .67 ± 0 .07 1 1-Butene (cis) C4H8 0 .438 ± 0 .007 2 1-Butene (skew) C4H8 0 .359 ± 0 .011 2 cis-2-Butene C4H8 0 .253 ± 0 .005 2 cis-2-Butene-1,4-diol C4H8O2 [2 .48] 7 trans-2-Butene-1,4-diol C4H8O2 [2 .45] 7 trans-2-Butenoic acid C4H6O2 [2 .13] 7 cis-2-Buten-1-ol C4H8O 1 .96 ± 0 .03 5 trans-2-Buten-1-ol C4H8O 1 .90 ± 0 .02 5 1-Buten-3-yne C4H4 0 .22 ± 0 .02 3 2-Butoxyethanol C6H14O2 [2 .08] 7 Butyl acetate C6H12O2 [1 .87] 7 sec-Butyl acetate C6H12O2 [1 .87] 7 Butylamine C4H11N ≈1 .0 1 sec-Butylamine C4H11N [1 .28] 7 tert-Butylamine C4H11N [1 .29] 7 tert-Butylbenzene C10H14 ≈0 .83 1 Butyl ethyl ether C6H14O [1 .24] 7 Butyl formate C5H10O2 [2 .03] 7 Butyl stearate C22H44O2 [1 .88] 7
Butyl vinyl ether C6H12O [1 .25] 7 1-Butyne C4H6 0 .782 ± 0 .004 5 γ-Butyrolactone C4H6O2 4 .27 ± 0 .03 3 Calcium methoxide CH3CaO 1 .58 ± 0 .08 43 Camphor, (+) C10H16O [3 .1] 7 Caprolactam C6H11NO [3 .9] 7 Carboimidic difluoride CHF2N 1 .393 ± 0 .001 5 Carbon dioxide dimer-water
complex C2O4•H2O 1 .989 ± 0 .002 23
Carbon dioxide-mercury complex
CO2•Hg 0 .107 ± 0 .003 29
Carbon dioxide-water dimer complex
CO2•H4O2 1 .746 ± 0 .010 28
Carbon disulfide-sulfur dioxide complex
CO2•O2S 1 .096 ± 0 .001 42
Carbon monoselenide CSe 1 .99 ± 0 .04 3 Carbon monosulfide CS 1 .958 ± 0 .005 2 Carbon monoxide CO 0 .10980 3 Carbon monoxide dimer-
water complex C2O2•H2O 1 .57 ± 0 .05 36
Carbon oxyselenide COSe 0 .73 ± 0 .02 1 Carbon oxysulfide COS 0 .715189 5 Carbon oxysulfide-carbon
dioxide dimer complex COS•C2O4 0 .69 ± 0 .05 44
Carbon oxysulfide-water complex
COS•H2O 2 .668 ± 0 .003 37
Carbonyl chloride CCl2O 1 .17 ± 0 .01 1 Carbonyl fluoride CF2O 0 .95 ± 0 .01 1 Chloroacetyl chloride C2H2Cl2O 2 .23 ± 0 .11 1 Chloroacetylene C2HCl 0 .44408 5 2-Chloroaniline C6H6ClN [1 .77] 7 Chlorobenzene C6H5Cl 1 .69 ± 0 .03 1 1-Chlorobutane C4H9Cl 2 .05 ± 0 .04 1 2-Chlorobutane C4H9Cl 2 .04 ± 0 .10 1 Chlorocyclohexane (axial) C6H11Cl 1 .91 ± 0 .02 5 Chlorocyclohexane
(equitorial) C6H11Cl 2 .44 ± 0 .07 5
1-Chloro-1,1-difluoroethane C2H3ClF2 2 .14 ± 0 .04 1 Chlorodifluoromethane CHClF2 1 .42 ± 0 .03 1 Chloroethane C2H5Cl 2 .05 ± 0 .02 1 2-Chloroethanol C2H5ClO 1 .78 ± 0 .09 1 Chloroethene C2H3Cl 1 .45 ± 0 .03 1 1-Chloro-4-fluorobenzene C6H4ClF 0 .12 ± 0 .01 66 1-Chloro-1-fluoroethane C2H4ClF 2 .068 ± 0 .014 3 Chlorofluoromethane CH2ClF 1 .82 ± 0 .04 1 Chloromethane CH3Cl 1 .8963 ± 0 .0002 5 (Chloromethyl)benzene C7H7Cl [1 .82] 7 1-Chloro-3-methylbutane C5H11Cl [1 .92] 7 1-Chloro-2-methylpropane C4H9Cl 2 .00 ± 0 .10 1 2-Chloro-2-methylpropane C4H9Cl 2 .13 ± 0 .04 1 1-Chloronaphthalene C10H7Cl [1 .57] 7 1-Chloro-2-nitrobenzene C6H4ClNO2 4 .64 ± 0 .09 1 1-Chloro-3-nitrobenzene C6H4ClNO2 3 .73 ± 0 .07 1 1-Chloro-4-nitrobenzene C6H4ClNO2 2 .83 ± 0 .06 1 1-Chlorooctane C8H17Cl [2 .00] 7 Chloropentafluoroethane C2ClF5 0 .52 ± 0 .05 1 1-Chloropentane C5H11Cl 2 .16 ± 0 .11 1 4-Chlorophenol CHClO 2 .11 ± 0 .11 1
1-Chloropropane (gauche) C3H7Cl 2 .02 ± 0 .03 5 1-Chloropropane (trans) C3H7Cl 1 .95 ± 0 .02 5 1-Chloropropane (average) C3H7Cl 2 .05 ± 0 .04 1 2-Chloropropane C3H7Cl 2 .17 ± 0 .11 1 cis-1-Chloropropene C3H5Cl 1 .67 ± 0 .08 1 trans-1-Chloropropene C3H5Cl 1 .97 ± 0 .10 1 2-Chloropropene C3H5Cl 1 .647 ± 0 .010 3 3-Chloropropene C3H5Cl 1 .94 ± 0 .10 1 4-Chloropyridine C5H4ClN 0 .756 ± 0 .005 3 2-Chlorotoluene C7H7Cl 1 .56 ± 0 .08 1 3-Chlorotoluene C7H7Cl [1 .82] 7 4-Chlorotoluene C7H7Cl 2 .21 ± 0 .04 1 Chlorotrifluoroethene C2ClF3 0 .40 ± 0 .10 1 Chlorotrifluoromethane CClF3 0 .50 ± 0 .01 1 o-Cresol C7H8O [1 .45] 7 m-Cresol C7H8O [1 .48] 7 p-Cresol C7H8O [1 .48] 7 Cyanamide CH2N2 4 .28 ± 0 .10 5 Cyanoacetylene C3HN 3 .73172 5 Cyanoformamide C2H2N2O 4 .10 ± 0 .12 47 Cyanogen azide (NCN3) CN4 2 .96 ± 0 .07 60 Cyanogen chloride CClN 2 .8331 ± 0 .0002 3 Cyanogen fluoride CFN 2 .120 ± 0 .001 3 Cyanogen iodide CIN 3 .67 ± 0 .02 5 Cyanomethylmercury C2H3HgN 4 .7 ± 0 .1 12 Cyclobutanecarbonitrile C5H7N 4 .04 ± 0 .04 5 Cyclobutanone C4H6O 2 .89 ± 0 .03 2 Cyclobutene C4H6 0 .132 ± 0 .001 1 1,3-Cycloheptadiene C7H10 0 .740 3 2,4,6-Cycloheptatrien-1-one C7H6O 4 .1 ± 0 .3 3 3,5-Cyclohexadiene-1,2-
dione C6H4O2 4 .23 ± 0 .02 3
Cyclohexanone C6H10O 3 .246 ± 0 .006 5 Cyclohexene (half-chair) C6H10 0 .332 ± 0 .012 2 Cyclohexylamine C6H13N [1 .26] 7 1,3-Cyclopentadiene C5H6 0 .419 ± 0 .004 1 2,4-Cyclopentadien-1-one C5H4O 3 .132 ± 0 .007 3 Cyclopentanone C5H8O ≈3 .3 1 Cyclopentene C5H8 0 .20 ± 0 .02 1 3-Cyclopenten-1-one C5H6O 2 .79 ± 0 .03 3 Cyclopropane-sulfur dioxide
complex C3H6•O2S 1 .681 ± 0 .001 30
Cyclopropanone C3H4O 2 .67 ± 0 .13 2 Cyclopropene C3H4 0 .454 ± 0 .010 1 Cyclopropylamine C3H7N 1 .19 ± 0 .01 2 Cyclopropyl methyl ketone C5H8O 2 .62 ± 0 .25 2 Diacetone alcohol C6H12O2 [3 .24] 7 Diazomethane CH2N2 1 .50 ± 0 .01 1 Dibromodifluoromethane CBr2F2 0 .66 ± 0 .05 1 1,2-Dibromoethane C2H4Br2 [1 .19] 7 Dibromomethane CH2Br2 1 .43 ± 0 .03 1 1,2-Dibromopropane C3H6Br2 [1 .2] 7 Dibutylamine C8H19N [0 .98] 7 Dibutyl ether C8H18O 1 .17 ± 0 .06 1 Dibutyl phthalate C16H22O4 [2 .82] 7 Dibutyl sebacate C18H34O4 [2 .48] 7
Dibutyl sulfide C8H18S [1 .61] 7 o-Dichlorobenzene C6H4Cl2 2 .50 ± 0 .05 1 m-Dichlorobenzene C6H4Cl2 1 .72 ± 0 .09 1 1,4-Dichlorobutane C4H8Cl2 2 .22 ± 0 .11 1 1,1-Dichloro-2,2-
difluoroethene C2Cl2F2 0 .50 7
Dichlorodifluoromethane CCl2F2 0 .51 ± 0 .05 1 1,1-Dichloroethane C2H4Cl2 2 .06 ± 0 .04 1 1,2-Dichloroethane C2H4Cl2 [1 .83] 7 1,1-Dichloroethene C2H2Cl2 1 .34 ± 0 .01 1 cis-1,2-Dichloroethene C2H2Cl2 1 .90 ± 0 .04 1 Dichlorofluoromethane CHCl2F 1 .29 ± 0 .03 1 1,1-Dichloro-2-
fluoropropene C3H3Cl2F 2 .43 ± 0 .02 3
Dichloromethane CH2Cl2 1 .60 ± 0 .03 1 (Dichloromethyl)benzene C7H6Cl2 [2 .07] 7 Dichloromethylborane CH3BCl2 1 .419 ± 0 .013 5 1,2-Dichloropropane C3H6Cl2 [1 .85] 7 1,3-Dichloropropane C3H6Cl2 2 .08 ± 0 .04 1 1,2-Dichloro-1,1,2,2-
tetrafluoroethane C2Cl2F4 ≈0 .5 1
2,4-Dichlorotoluene C7H6Cl2 [1 .70] 7 3,4-Dichlorotoluene C7H6Cl2 [2 .95] 7 Diethanolamine C4H11NO2 [2 .8] 7 1,1-Diethoxyethane C6H14O2 [1 .38] 7 Diethylamine C4H11N 0 .92 ± 0 .05 1 Diethyl carbonate C5H10O3 1 .10 ± 0 .06 1 Diethylene glycol C4H10O3 [2 .31] 7 Diethylene glycol dimethyl
ether C6H14O3 [1 .97] 7
Diethylene glycol monoethyl ether
C6H14O3 [1 .6] 7
Diethylene glycol monoethyl ether acetate
C8H16O4 [1 .8] 7
Diethylene glycol monomethyl ether
C5H12O3 [1 .6] 7
Diethyl ether C4H10O 1 .098 ± 0 .001 38 Diethyl malonate C7H12O4 [2 .54] 7 Diethyl oxalate C6H10O4 [2 .49] 7 Diethyl sulfide (trans-trans) C4H10S 1 .556 ± 0 .004 54 Diethyl sulfide (trans-
gauche) C4H10S 1 .591 ± 0 .009 54
Diethyl sulfide (gauchegauche)
C4H10S 1 .645 ± 0 .001 54
o-Difluorobenzene C6H4F2 2 .46 ± 0 .05 2 m-Difluorobenzene C6H4F2 1 .51 ± 0 .02 2 1,1-Difluorocyclohexane C6H10F2 2 .556 ± 0 .010 3 3,3-Difluorocyclopropene C3H2F2 2 .98 ± 0 .02 3 1,1-Difluoroethane C2H4F2 2 .27 ± 0 .05 1 1,2-Difluoroethane (gauche) C2H4F2 2 .67 ± 0 .13 2 1,1-Difluoroethene C2H2F2 1 .3893 ± 0 .0002 5 cis-1,2-Difluoroethene C2H2F2 2 .42 ± 0 .02 1 Difluoromethane CH2F2 1 .9785 ± 0 .02 3 Difluoromethylborane CH3BF2 1 .668 ± 0 .003 3 Difluoromethylene CF2 0 .47 ± 0 .02 3 1,1-Difluoro-1-propene C3H4F2 0 .889 ± 0 .007 2 2,3-Dihydro-1,4-dioxin C4H6O2 0 .939 ± 0 .008 3 3,6-Dihydro-1,2-dioxin C4H6O2 2 .329 ± 0 .001 3
2,3-Dihydrofuran C4H6O 1 .32 ± 0 .03 2 2,5-Dihydrofuran C4H6O 1 .63 ± 0 .01 5 Dihydro-3-methyl-2(3H)-
furanone C5H8O2 4 .56 ± 0 .02 5
Dihydro-5-methyl-2(3H)- furanone
C5H8O2 4 .71 ± 0 .05 5
3,4-Dihydro-2H-pyran C5H8O 1 .400 ± 0 .008 5 3,6-Dihydro-2H-pyran C5H8O 1 .283 ± 0 .005 3 2,3-Dihydrothiophene C4H6S 1 .61 ± 0 .20 5 2,5-Dihydrothiophene C4H6S 1 .75 ± 0 .01 3 Diiodomethane CH2I2 [1 .08] 7 Diisopentyl ether C10H22O [1 .23] 7 Diisopropylamine C6H15N [1 .15] 7 Diisopropyl ether C6H14O 1 .13 ± 0 .10 1 Diketene C4H4O2 3 .53 ± 0 .07 1 1,2-Dimethoxybenzene C8H10O2 [1 .29] 7 Dimethoxymethane C3H8O2 [0 .74] 7 N,N-Dimethylacetamide C4H9NO [3 .7] 7 Dimethylamine C2H7N 1 .01 ± 0 .02 2 N,N-Dimethylaniline C8H11N 1 .68 ± 0 .17 1 2,4-Dimethylaniline C8H11N [1 .40] 7 2,6-Dimethylaniline C8H11N [1 .63] 7 3,3-Dimethyl-1-butyne C6H10 0 .661 ± 0 .004 1 1,1-Dimethylcyclopropane C5H10 0 .142 ± 0 .001 3 3,3-Dimethylcyclopropene C5H8 0 .287 ± 0 .003 3 Dimethyl disulfide C2H6S2 [1 .85] 7 Dimethyl ether C2H6O 1 .30 ± 0 .01 1 N,N-Dimethylformamide C3H7NO 3 .82 ± 0 .08 1 2,6-Dimethyl-4-heptanone C9H18O [2 .66] 7 Dimethyl maleate C6H8O4 [2 .48] 7 2,4-Dimethyl-3-pentanone C7H14O [2 .74] 7 2,2-Dimethylpropanal C5H10O 2 .66 ± 0 .05 2 2,2-Dimethylpropanenitrile C5H9N 3 .95 ± 0 .04 1 2,4-Dimethylpyridine C7H9N [2 .30] 7 2,6-Dimethylpyridine C7H9N [1 .66] 7 Dimethyl sulfide C2H6S 1 .554 ± 0 .004 3 Dimethyl sulfoxide C2H6OS 3 .96 ± 0 .04 1 1,3-Dioxane C4H8O2 2 .06 ± 0 .04 2 1,3-Dioxolane C3H6O2 1 .19 ± 0 .06 3 Dipentyl ether C10H22O [1 .20] 7 Diphenyl ether C12H10O ≈1 .3 1 Dipropylamine C6H15N [1 .03] 7 Dipropyl ether C6H14O 1 .21 ± 0 .06 1 1,3-Dithiane C4H8S2 2 .14 ± 0 .04 5 Divinyl ether C4H6O 0 .78 ± 0 .05 2 Epichlorohydrin C3H5ClO [1 .8] 7 1,2-Epoxybutane C4H8O 1 .891 ± 0 .011 3 1,2-Ethanediamine C2H8N2 1 .99 ± 0 .10 1 1,2-Ethanediol, diacetate C6H10O4 [2 .34] 7 1,2-Ethanedithiol C2H6S2 2 .03 ± 0 .08 5 Ethanethiol (gauche) C2H6S 1 .61 ± 0 .08 3 Ethanethiol (trans) C2H6S 1 .58 ± 0 .08 3 Ethanol (gauche) C2H6O 1 .68 ± 0 .03 3 Ethanol (trans) C2H6O 1 .44 ± 0 .03 2 Ethanol (average) C2H6O 1 .69 ± 0 .03 1 Ethanolamine C2H7NO [2 .27] 7
Ethoxybenzene C8H10O 1 .45 ± 0 .15 1 2-Ethoxyethanol C4H10O2 [2 .08] 7 2-Ethoxyethyl acetate C6H12O3 [2 .25] 7 Ethyl acetate C4H8O2 1 .78 ± 0 .09 1 Ethyl acrylate C5H8O2 [1 .96] 7 Ethylamine (gauche) C2H7N 1 .210 ± 0 .015 5 Ethylamine (trans) C2H7N 1 .304 ± 0 .011 5 Ethylamine (average) C2H7N 1 .22 ± 0 .10 1 Ethylbenzene C8H10 0 .59 ± 0 .05 1 Ethyl benzoate C9H10O2 2 .00 ± 0 .10 1 Ethyl butanoate C6H12O2 [1 .74] 7 Ethyl trans-cinnamate C11H12O2 [1 .84] 7 Ethyl cyanate C3H5NO 4 .72 ± 0 .09 5 Ethyl cyanoacetate C5H7NO2 [2 .17] 7 Ethylene carbonate C3H4O3 [4 .9] 7 Ethylene glycol (average) C2H6O2 2 .36 ± 0 .10 5 Ethyleneimine C2H5N 1 .90 ± 0 .01 1 Ethylene-sulfur dioxide
complex C2H4•O2S 1 .650 ± 0 .003 27
Ethylene-water complex C2H4•H2O 1 .10 ± 0 .01 56 Ethyl formate (gauche) C3H6O2 1 .81 ± 0 .02 2 Ethyl formate (trans) C3H6O2 1 .98 ± 0 .02 2 Ethyl formate (average) C3H6O2 1 .93 1 2-Ethyl-1-hexanol C8H18O [1 .74] 7 2-Ethylhexyl acetate C10H20O2 [1 .8] 7 Ethyl lactate C5H10O3 [2 .4] 7 Ethyl methyl ether (trans) C3H8O 1 .17 ± 0 .02 3 Ethyl methyl sulfide (gauche) C3H8S 1 .593 ± 0 .004 5 Ethyl methyl sulfide (trans) C3H8S 1 .56 ± 0 .03 3 Ethyl propanoate C5H10O2 [1 .74] 7 Ethyl vinyl ether C4H8O [1 .26] 7 Fluoroacetylene C2HF 0 .7207 ± 0 .0003 3 Fluorobenzene C6H5F 1 .60 ± 0 .08 1 Fluorocyclohexane
(equitorial) C6H11F 2 .11 ± 0 .04 2
Fluorocyclohexane (axial) C6H11F 1 .81 ± 0 .04 2 1-Fluorocyclohexene C6H9F 1 .942 ± 0 .010 5 Fluoroethane C2H5F 1 .937 ± 0 .007 5 Fluoroethene C2H3F 1 .468 ± 0 .003 5 Fluoromethane CH3F 1 .858 ± 0 .002 3 Fluoromethylidyne CF 0 .645 ± 0 .005 3 (Fluoromethylidyne)
phosphine (FCP) CFP 0 .279 ± 0 .001 62
Fluoromethylsilane CH5FSi 1 .700 ± 0 .008 5 1-Fluoro-4-nitrobenzene C6H4FNO2 2 .87 ± 0 .06 1 1-Fluoropropane (gauche) C3H7F 1 .90 ± 0 .10 1 1-Fluoropropane (trans) C3H7F 2 .05 ± 0 .04 1 2-Fluoropropane C3H7F 1 .958 ± 0 .001 5 cis-1-Fluoropropene C3H5F 1 .46 ± 0 .03 1 trans-1-Fluoropropene C3H5F ≈1 .9 1 2-Fluoropropene C3H5F 1 .61 ± 0 .03 1 3-Fluoropropene (gauche) C3H5F 1 .939 ± 0 .015 1 3-Fluoropropene (cis) C3H5F 1 .765 ± 0 .014 1 3-Fluoropropyne C3H3F 1 .73 ± 0 .02 5 3-Fluoropyridine C5H4FN 2 .09 ± 0 .26 3 2-Fluorotoluene C7H7F 1 .37 ± 0 .07 1
3-Fluorotoluene C7H7F 1 .82 ± 0 .04 2 4-Fluorotoluene C7H7F 2 .00 ± 0 .10 1 Formaldehyde CH2O 2 .332 ± 0 .002 3 Formaldehyde dimer C2H4O2 0 .858 ± 0 .005 57 Formamide CH3NO 3 .73 ± 0 .07 1 Formic acid CH2O2 1 .425 ± 0 .002 5 Formyl fluoride CHFO 2 .081 ± 0 .001 5 Fulminic acid CHNO 3 .09934 5 Fulvene C6H6 0 .4236 ± 0 .013 2 Furan C4H4O 0 .66 ± 0 .01 1 Furfural C5H4O2 [3 .54] 7 Furfuryl alcohol C5H6O2 [1 .92] 7 Glycerol C3H8O3 [2 .56] 7 Glycine (Conformer I) C2H5NO2 1 .147 ± 0 .005 49 Glycine (Conformer II) C2H5NO2 5 .45 ± 0 .05 49 Glycolaldehyde C2H4O2 2 .73 ± 0 .05 2 Glyoxal (cis) C2H2O2 4 .8 ± 0 .2 2 2-Heptanol C7H16O [1 .71] 7 3-Heptanol C7H16O [1 .71] 7 2-Heptanone C7H14O [2 .59] 7 3-Heptanone C7H14O [2 .78] 7 Hexamethylphosphoric
triamide C6H18N3OP [5 .5] 7
Hexanoic acid C6H12O2 [1 .13] 7 2-Hexanone C6H12O [2 .66] 7 sec-Hexyl acetate C8H16O2 [1 .9] 7 1-Hexyne C6H10 0 .83 ± 0 .05 1 Hydrogen cyanide CHN 2 .985188 5 Hydrogen cyanide trimer C3H3N3 10 .6 21 Hydrogen isocyanide CHN 3 .05 ± 0 .15 3 p-Hydroquinone C6H6O2 2 .38 ± 0 .05 15 3-Hydroxypropanenitrile
(gauche) C3H5NO 3 .17 ± 0 .02 5
Imidazole C3H4N2 3 .8 ± 0 .4 2 Iodoacetylene C2HI 0 .02525 5 Iodobenzene C6H5I 1 .70 ± 0 .09 1 1-Iodobutane C4H9I [1 .93] 7 2-Iodobutane C4H9I 2 .12 ± 0 .11 1 Iodoethane C2H5I 1 .976 ± 0 .002 5 Iodoethene C2H3I 1 .311 ± 0 .005 5 Iodomethane CH3I 1 .6406 ± 0 .0004 5 1-Iodo-2-methylpropane C4H9I [1 .87] 7 Iodomethylsilane CH5ISi 1 .862 ± 0 .005 5 1-Iodopropane C3H7I 2 .04 ± 0 .10 1 2-Iodopropane C3H7I [1 .95] 7 Isobutanal (gauche) C4H8O 2 .69 ± 0 .01 5 Isobutanal (trans) C4H8O 2 .86 ± 0 .01 5 Isobutane C4H10 0 .132 ± 0 .002 1 Isobutene C4H8 0 .503 ± 0 .010 1 Isobutyl acetate C6H12O2 [1 .86] 7 Isobutylamine C4H11N [1 .27] 7 Isobutyl formate C5H10O2 [1 .88] 7 Isobutyl isobutanoate C8H16O2 [1 .9] 7 Isocyanic acid (HNCO) CHNO ≈1 .6 2 Isocyanobenzene C7H5N 4 .018 ± 0 .003 5 Isocyanocyclopropane C4H5N 4 .03 ± 0 .10 3
2-Isocyanopropane C4H7N 4 .055 ± 0 .001 5 Isopentane C5H12 0 .13 ± 0 .05 1 Isopentyl acetate C7H14O2 [1 .86] 7 Isopropylamine C3H9N 1 .19 ± 0 .06 3 Isopropylbenzene C9H12 ≈0 .79 1 Isopropyl methyl ether C4H10O 1 .247 ± 0 .003 5 Isoquinoline C9H7N 2 .73 ± 0 .14 1 Isoxazole C3H3NO 2 .95 ± 0 .04 3 Isoxazole-carbon monoxide
complex C3H3NO•CO 2 .873 ± 0 .004 52
Ketene C2H2O 1 .42215 3 Mesityl oxide C6H10O [2 .79] 7 Methacrylic acid C4H6O2 [1 .65] 7 Methanethiol CH4S 1 .52 ± 0 .08 1 Methanol CH4O 1 .70 ± 0 .02 1 2-Methoxyethanol (gauche) C3H8O2 2 .36 ± 0 .05 2 2-Methoxyethyl acetate C5H10O3 [2 .13] 7 1-Methoxy-1,2-propadiene C4H6O 0 .963 ± 0 .020 5 N-Methylacetamide C3H7NO [4 .3] 7 Methyl acetate C3H6O2 1 .72 ± 0 .09 1 Methyl acrylate C4H6O2 [1 .77] 7 2-Methylacrylonitrile C4H5N 3 .69 ± 0 .18 1 Methylamine CH5N 1 .31 ± 0 .03 1 2-Methylaniline C7H9N [1 .60] 7 3-Methylaniline C7H9N [1 .45] 7 4-Methylaniline C7H9N [1 .52] 7 Methyl azide CH3N3 2 .17 ± 0 .04 2 Methyl benzoate C8H8O2 [1 .94] 7 2-Methyl-1,3-butadiene C5H8 0 .25 ± 0 .01 1 3-Methylbutanoic acid C5H10O2 [0 .63] 7 2-Methyl-1-butanol C5H12O [1 .88] 7 2-Methyl-2-butanol C5H12O [1 .82] 7 3-Methyl-1-butene (gauche) C5H10 0 .398 ± 0 .004 3 3-Methyl-1-butene (trans) C5H10 0 .320 ± 0 .010 3 3-Methyl-2-butenenitrile C5H7N 4 .61 ± 0 .13 10 2-Methyl-1-buten-3-yne C5H6 0 .513 ± 0 .02 2 Methyl cyanate C2H3NO 4 .26 ± 0 .18 5 cis-3-Methylcyclohexanol C7H14O [1 .91] 7 trans-3-Methylcyclohexanol C7H14O [1 .75] 7 3-Methylcyclopentanone C6H10O 3 .14 ± 0 .03 5 3-Methyl-2-cyclopenten-1-
one C6H8O 4 .33 ± 0 .002 5
Methylcyclopropane C4H8 0 .139 ± 0 .004 2 Methyldiborane(6) CH8B2 0 .566 ± 0 .006 3 Methyldifluorophosphine CH3F2P 2 .056 ± 0 .006 3 Methylenecyclohexane C7H12 0 .62 ± 0 .01 5 Methylenecyclopropene C4H4 1 .90 ± 0 .01 5 Methylenephosphine (CH2 =
PH) CH3P 0 .869 ± 0 .003 61
N-Methylformamide C2H5NO 3 .83 ± 0 .08 1 Methyl formate C2H4O2 1 .77 ± 0 .04 1 2-Methylfuran C5H6O 0 .65 ± 0 .05 2 3-Methylfuran C5H6O 1 .03 ± 0 .02 2 5-Methyl-2(3H)-furanone C5H6O2 4 .08 ± 0 .02 5 Methyl hydroperoxide CH4O2 ≈0 .65 13 Methylidyne CH ≈1 .46 2
Methyl isocyanate C2H3NO ≈2 .8 1 Methyl isothiocyanate C2H3NS 3 .453 ± 0 .003 5 4-Methylisoxazole C4H5NO 3 .583 ± 0 .005 5 Methyl methacrylate C5H8O2 [1 .67] 7 2-Methyloxazole C4H5NO 1 .37 ± 0 .07 5 4-Methyloxazole C4H5NO 1 .08 ± 0 .05 5 5-Methyloxazole C4H5NO 2 .16 ± 0 .04 5 Methyloxirane C3H6O 2 .01 ± 0 .02 1 2-Methyl-2,4-pentanediol C6H14O2 [2 .9] 7 4-Methylpentanenitrile C6H11N [3 .5] 7 Methylphosphonic difluoride CH3F2OP 3 .69 ± 0 .26 3 N-Methylpropanamide C4H9NO 3 .61 7 2-Methylpropanenitrile C4H7N 4 .29 ± 0 .09 3 2-Methyl-2-propanethiol C4H10S 1 .66 ± 0 .03 3 2-Methylpropanoic acid C4H8O2 [1 .08] 7 2-Methyl-1-propanol C4H10O 1 .64 ± 0 .08 1 2-Methyl-2-propanol C4H10O [1 .66] 7 2-Methylpropenal C4H6O 2 .68 ± 0 .13 1 2-Methyl-2-propenol (skew) C4H8O 1 .295 ± 0 .022 5 Methyl propyl ether (trans-
trans) C4H10O 1 .107 ± 0 .013 3
2-Methylpyridine C6H7N 1 .85 ± 0 .04 2 3-Methylpyridine C6H7N [2 .40] 7 4-Methylpyridine C6H7N 2 .70 ± 0 .02 2 2-Methylpyrimidine C5H6N2 1 .676 ± 0 .010 3 5-Methylpyrimidine C5H6N2 2 .881 ± 0 .006 3 N-Methylpyrrolidine C5H11N 0 .572 ± 0 .003 5 N-Methyl-2-pyrrolidinone C5H9NO [4 .1] 7 Methyl salicylate C8H8O3 [2 .47] 7 Methylsilane CH6Si 0 .73456 5 Methyl silyl ether CH6OSi 1 .15 ± 0 .02 2 3-Methylthietane C4H8S 2 .046 ± 0 .009 5 2-Methylthiophene C5H6S 0 .674 ± 0 .005 2 3-Methylthiophene C5H6S 0 .914 ± 0 .015 3 Methyl vinyl ether C3H6O 0 .965 ± 0 .002 5 Morpholine C4H9NO 1 .55 ± 0 .03 3 2-Nitroanisole C7H7NO3 [5 .0] 7 Nitrobenzene C6H5NO2 4 .22 ± 0 .08 1 Nitroethane C2H5NO2 3 .23 ± 0 .03 2 Nitromethane CH3NO2 3 .46 ± 0 .02 1 1-Nitropropane C3H7NO2 3 .66 ± 0 .07 1 2-Nitropropane C3H7NO2 3 .73 ± 0 .07 1 Nonanoic acid C9H18O2 [0 .79] 7 2,5-Norbornadiene C7H8 0 .0587 ± 0 .0001 5 cis-9-Octadecenoic acid C18H34O2 [1 .18] 7 Octanoic acid C8H16O2 [1 .15] 7 1-Octanol C8H18O [1 .76] 7 2-Octanol C8H18O [1 .71] 7 2-Octanone C8H16O [2 .70] 7 1,4-Oxathiane C4H8OS 0 .295 ± 0 .003 3 Oxazole C3H3NO 1 .503 ± 0 .030 3 Oxetane C3H6O 1 .94 ± 0 .01 1 2-Oxetanone C3H4O2 4 .18 ± 0 .03 1 3-Oxetanone C3H4O2 0 .887 ± 0 .005 2 Oxirane C2H4O 1 .89 ± 0 .01 1 Paraldehyde CHO 1 .43 ± 0 .07 1
Pentachloroethane C2HCl5 0 .92 ± 0 .05 1 cis-1,3-Pentadiene C5H8 0 .500 ± 0 .015 2 trans-1,3-Pentadiene C5H8 0 .585 ± 0 .010 2 1,3-Pentadiyne C5H4 1 .207 ± 0 .001 5 1,5-Pentanediol C5H12O2 [2 .5] 7 2,4-Pentanedione C5H8O2 [2 .78] 7 Pentanenitrile C5H9N 4 .12 ± 0 .08 1 Pentanoic acid C5H10O2 [1 .61] 7 1-Pentanol C5H12O [1 .7] 7 2-Pentanol C5H12O [1 .66] 7 3-Pentanol C5H12O [1 .64] 7 2-Pentanone C5H10O [2 .70] 7 3-Pentanone C5H10O [2 .82] 7 1,2,3-Pentatriene C5H6 0 .51 ± 0 .05 11 1-Pentene C5H10 ≈0 .5 1 1-Penten-3-yne C5H6 0 .66 ± 0 .02 2 cis-3-Penten-1-yne C5H6 0 .78 ± 0 .02 2 trans-3-Penten-1-yne C5H6 1 .06 ± 0 .05 2 Pentyl acetate C7H14O2 1 .75 ± 0 .10 1 Pentyl formate C6H12O2 1 .90 ± 0 .10 1 1-Pentyne (gauche) C5H8 0 .769 ± 0 .028 2 1-Pentyne (trans) C5H8 0 .842 ± 0 .010 2 Perfluoropyridine C5F5N 0 .98 ± 0 .08 3 Phenol C6H6O 1 .224 ± 0 .008 3 Phenylacetylene C8H6 0 .656 ± 0 .005 3 Phenylsilane C6H8Si 0 .845 ± 0 .012 3 1-Phosphapropyne (CH3CP) C2H3P 1 .499 ± 0 .001 63 Piperidine (equitorial) C5H11N 0 .82 ± 0 .02 3 Piperidine (axial) C5H11N 1 .19 ± 0 .02 3 Piperidine (average) C5H11N [1 .19] 3 Propanal (gauche) C3H6O 2 .86 ± 0 .01 5 Propanal (cis) C3H6O 2 .52 ± 0 .05 1 Propanal (average) C3H6O 2 .72 1 Propane C3H8 0 .084 ± 0 .001 1 1,2-Propanediol C3H8O2 [2 .25] 7 1,3-Propanediol C3H8O2 [2 .55] 7 Propanenitrile C3H5N 4 .05 ± 0 .03 3 1-Propanethiol (gauche) C3H8S 1 .683 ± 0 .010 3 1-Propanethiol (trans) C3H8S 1 .60 ± 0 .08 3 2-Propanethiol (gauche) C3H8S 1 .53 ± 0 .03 3 2-Propanethiol (trans) C3H8S 1 .61 ± 0 .03 3 Propanoic acid (cis) C3H6O2 1 .46 ± 0 .07 2 Propanoic acid (average) C3H6O2 1 .75 ± 0 .09 1 1-Propanol (gauche) C3H8O 1 .58 ± 0 .03 2 1-Propanol (trans) C3H8O 1 .55 ± 0 .03 2 2-Propanol (trans) C3H8O 1 .58 ± 0 .03 2 Propargyl alcohol C3H4O 1 .13 ± 0 .06 2 Propene C3H6 0 .366 ± 0 .001 1 Propene-sulfur dioxide
complex C3H6•O2S 1 .34 ± 0 .003 35
Propyl acetate C5H10O2 [1 .78] 7 Propylamine C3H9N 1 .17 ± 0 .06 1 Propylene carbonate C4H6O3 [4 .9] 7 Propyleneimine (cis) C3H7N 1 .77 ± 0 .09 2 Propyleneimine (trans) C3H7N 1 .57 ± 0 .03 2 Propyl formate CHO [1 .89] 7
2-Propynal C3H2O 2 .78 ± 0 .02 5 Propyne C3H4 0 .784 ± 0 .001 3 Propyne-argon complex C3H4•Ar 0 .730 ± 0 .005 20 4H-Pyran-4-one C5H4O2 3 .79 ± 0 .02 5 4H-Pyran-4-thione C5H4OS 3 .95 ± 0 .05 5 1H-Pyrazole C3H4N2 2 .20 ± 0 .01 3 Pyridazine C4H4N2 4 .22 ± 0 .02 2 Pyridine C5H5N 2 .215 ± 0 .010 3 2-Pyridinecarbonitrile C6H4N2 5 .78 ± 0 .11 3 3-Pyridinecarbonitrile C6H4N2 3 .66 ± 0 .11 3 4-Pyridinecarbonitrile C6H4N2 1 .96 ± 0 .03 3 3-Pyridinecarboxaldehyde C6H5NO 1 .44 3 4-Pyridinecarboxaldehyde C6H5NO 1 .66 3 2-Pyridinecarboxaldehyde C6H5NO 3 .56 ± 0 .07 3 Pyrimidine C4H4N2 2 .334 ± 0 .010 2 Pyrrole C4H5N 1 .767 ± 0 .001 5 Pyrrolidine C4H9N [1 .57] 7 2-Pyrrolidone C4H7NO [3 .5] 7 Quinoline C9H7N 2 .29 ± 0 .11 1 Salicylaldehyde C7H6O2 [2 .86] 7 Selenoformaldehyde CH2Se 1 .41 ± 0 .01 5 Silicon dicarbide C2Si 2 .393 ± 0 .006 24 Silicon methylidyne CHSi 0 .066 ± 0 .002 41 Styrene C8H8 0 .123 ± 0 .003 5 Succinonitrile C4H4N2 [3 .7] 7 Sulfolane C4H8O2S [4 .8] 7 1,1,2,2-Tetrabromoethane C2H2Br4 [1 .38] 7 1,1,2,2-Tetrachloroethane C2H2Cl4 1 .32 ± 0 .07 1 1,2,3,4-Tetrafluorobenzene C6H2F4 2 .42 ± 0 .05 3 1,2,3,5-Tetrafluorobenzene C6H2F4 1 .46 ± 0 .06 3 1,1,1,2-Tetrafluoroethane C2H2F4 1 .80 ± 0 .22 5 Tetrahydrofuran C4H8O 1 .75 ± 0 .04 2 Tetrahydrofurfuryl alcohol C5H10O2 [2 .1] 7 Tetrahydropyran (chair) C5H10O 1 .58 ± 0 .03 3 Tetrahydro-4H-pyran-4-one C5H8O2 1 .720 ± 0 .003 3 1,2,5,6-Tetrahydropyridine C5H9N 1 .007 ± 0 .003 3 Tetrahydrothiophene C4H8S [1 .90] 7 Tetramethylurea C5H12N2O [3 .5] 7 1H-Tetrazole CH2N4 2 .19 ± 0 .05 3 Thiacyclohexane C5H10S 1 .781 ± 0 .010 3 1,2,5-Thiadiazole C2H2N2S 1 .579 ± 0 .007 3 Thietane C3H6S 1 .85 ± 0 .09 1 Thietane 1,1-dioxide C3H6O2S 4 .8 ± 0 .1 5 Thioacetaldehyde C2H4S 2 .33 ± 0 .02 68 Thiocarbonyl fluoride CF2S 0 .080 59 Thioformaldehyde CH2S 1 .6491 ± 0 .0004 3 Thiophene C4H4S 0 .55 ± 0 .01 2 2-Thiophenecarbonitrile C5H3NS 4 .59 ± 0 .02 3 3-Thiophenecarbonitrile C5H3NS 4 .13 ± 0 .02 3 4H-Thiopyran-4-thione C5H4S2 3 .9 ± 0 .2 5
Toluene C7H8 0 .375 ± 0 .010 3 Toluene-sulfur dioxide
complex C7H8•O2S 1 .87 ± 0 .03 34
1H-1,2,4-Triazole C2H3N3 2 .7 ± 0 .1 3 Tribromomethane CHBr3 0 .99 ± 0 .02 1 Tributylamine C12H27N [0 .78] 7 Tributyl borate C12H27BO3 [0 .77] 7 Tributyl phosphate C12H27O4P [3 .07] 7 Tricarbon monosulfide C3S 3 .704 ± 0 .009 50 1,1,1-Trichloroethane C2H3Cl3 1 .755 ± 0 .015 2 1,1,2-Trichloroethane C2H3Cl3 [1 .4] 7 Trichloroethene C2HCl3 [0 .8] 7 Trichloroethylsilane C2H5Cl3Si [2 .04] 7 Trichlorofluoromethane CCl3F 0 .46 ± 0 .02 2 Trichloromethane CHCl3 1 .04 ± 0 .02 2 (Trichloromethyl)benzene C7H5Cl3 [2 .03] 7 Trichloromethylsilane CH3Cl3Si 1 .91 ± 0 .01 2 Tri-o-cresyl phosphate C21H21O4P [2 .87] 7 Tri-m-cresyl phosphate C21H21O4P [3 .05] 7 Tri-p-cresyl phosphate C21H21O4P [3 .18] 7 Triethanolamine C6H15NO3 [3 .57] 7 Triethylamine C6H15N 0 .66 ± 0 .05 1 Triethyl phosphate C6H15O4P [3 .12] 7 Trifluoroacetic acid C2HF3O2 2 .28 ± 0 .25 1 Trifluoroacetonitrile C2F3N 1 .262 ± 0 .010 3 1,2,4-Trifluorobenzene C6H3F3 1 .402 ± 0 .009 5 1,1,1-Trifluoroethane C2H3F3 2 .347 ± 0 .005 3 Trifluoroethene C2HF3 1 .32 ± 0 .03 2 Trifluoroiodomethane CF3I 1 .048 ± 0 .003 3 Trifluoroisocyanomethane C2F3N 1 .153 ± 0 .010 5 Trifluoromethane CHF3 1 .65150 3 (Trifluoromethyl)benzene C7H5F3 2 .86 ± 0 .06 1 Trifluoromethylsilane CH3F3Si 2 .3394 ± 0 .0002 5 (Trifluoromethyl)silane CH3F3Si 2 .32 ± 0 .02 5 3,3,3-Trifluoropropene C3H3F3 2 .45 ± 0 .05 1 3,3,3-Trifluoro-1-propyne C3HF3 2 .317 ± 0 .013 5 Trimethylamine C3H9N 0 .612 ± 0 .003 1 Trimethyl phosphate C3H9O4P [3 .18] 7 2,4,6-Trimethylpyridine C8H11N [2 .05] 7 1,3,5-Trioxane C3H6O3 2 .08 ± 0 .02 1 Vinyl acetate C4H6O2 [1 .79] 7 Vinyl formate C3H4O2 1 .49 ± 0 .01 1 2-Vinylfuran C6H6O 0 .69 ± 0 .07 5 Vinylsilane C2H6Si 0 .657 ± 0 .002 5 o-Xylene C8H10 0 .640 ± 0 .005 2 2,4-Xylenol C8H10O [1 .4] 7 2,5-Xylenol C8H10O [1 .45] 7 2,6-Xylenol C8H10O [1 .40] 7 3,4-Xylenol C8H10O [1 .56] 7 3,5-Xylenol C8H10O [1 .55] 7
