Heats of formation of atoms, inorganic and organic radicals

Atom kcal/mol kJ/mol Atom kcal/mol kJ/mol

Atom kcal/mol kJ/mol Atom kcal/mol kJ/mol

Ni 102.80 430.12

O 59.555±0.024 249.18±0.10

Os 164.1±5.0 686.6±20.9

P 75.619 316.39

Pb 46.654 195.20

Pd 77.44±0.50 324.01±2.09

Pt 86.10 360.24

Rb 19.34 80.92

Rh 106.74±0.50 446.60±2.09

Ru 129.47 541.70

S 66.200 276.98

Sb 38.5±1.5 161.1±6.3

Sc 86.0±1.1 358.8±4.6

Se 7.7±1.4 32.2±5.9

Si 107.55 450.00

Sn 71.99±0.36 301.21±1.5

Sr 39.197 164.00

Ta 186.90 782.00

Te 47.0 196.6

Th 144±1 602.5±4.2

Ti 113.20 473.63

Tl 34.5±1.7 144.3±7.1

U 127±2 531.4±8.4

V 123.20 515.47

W 203.40 851.03

Y 93.62±0.57 391.71±2.38

Zn 31.171 130.42

Zr 145.80 610.03

Data resource: https://webbook.nist.gov

11.2-Small inorganic radicals in the gas phase Table 11.2 Heats of Formation of Small Inorganic Radicals

∆fHo(R)

Inorganic radicals kcal/mol kJ/mol References

ON 21.58 90.29 1998CHA

NO2 7.91 33.10 1998CHA

ONOO 19.8 82.8 1993DAV/KIM

sym-NO3 15.8 66.1 1976BEN

N2O 19.61 82.05 1998CHA

NH 90.0 376.56 1998CHA

NH2 45.1±0.3 188.7±1.3 1994BER/ELL

HNO 27.0 113.0 1996DIX

N2H3 58.2 78.2 1988GRE/COL

(Z)-N2H2 50.9 212.97 1998CHA

NF2 10.1 42.26 1998CHA

NF 50 209.2 1979HUB/HER

HNO 23.8 99.58 1998CHA

FNO –15.7 –65.69 1998CHA

ClNO 12.36 51.71 1998CHA

BrNO 19.63 82.13 1998CHA

INO 26.8 112.13 1998CHA

NCN 111.1±0.7 464.8±2.9 1999BIS/CHO

OH 9.40±0.05 39.33±0.21 1994BER/ELL

SH 34.18±0.68 143.01±2.85 1994BER/ELL

SSH 27.6±3.5 115.5±14.6 1993OHA/DEP

SO 1.2 5.01 1998CHA

SO2 –70.95 –296.84 1998CHA

SO3 –94.6 –395.77 1998CHA

S2O –13.5 –56.48 1998CHA

HSO –1.0 –4.2 1987LOV/WAN

HSO2 –53 –221.8 1980BOY/GUP

HOSO2 –92 385 1984MAR

SF 3.1 12.97 1998CHA

SF2 –70.9 –296.65 1998CHA

SF3 –120.23 –503.03 1998CHA

SF4 –178.3 ±3.0 –763.16 1998CHA

SF5 –210.3±4.8 –908.45 1998CHA

HSe 34.6±0.5 144.8±2.1 1994BER/ELL

HTe 37.9±1.2 156.8±5.0 1994BER/ELL

PH2 33.1±0.6 138.5±2.5 1994BER/ELL

PH 60.6 253.55 1998CHA

AsH2 40.1±0.3 167.8±1.3 1994BER/ELL

AsH 40.1 167.8 1988BER

∆fHo(R)

Inorganic radicals kcal/mol kJ/mol References

SbH2 51.5±0.6 215.5±2.5 1994BER/ELL

FO 26.0 108.78 1998CHA

ClO 24.2 101.22 1998CHA

BrO 31.9 133.5 1988LIA/BAR

Table 11.3.1 Heats of Formation of C-Centered Radicals

∆fHo(R)

C-centered radicals kcal/mol kJ/mol References

CH 142.0 594.13 1998CHA

CH2 (triplet) 93.3±1.0 390.4±4.2 1985BUN/SEA

CH2 (singlet) 102.4±1.0 428.4±4.2 1985BUN/SEA

•CH3, methyl 35.06±0.1 146.69±0.42 1987DOB/BEN

•C2H, acetenyl, CH≡C • 135.1±0.7 565.3±2.9 1994BER/ELL

•C2H2, CH2=C •• 100.3±4 419.7±16.7 1999AHM/PET

•C2H3, vinyl, CH2=C •H 71.6±0.8 299.6±3.3 1994BER/ELL

•C2H5, ethyl, CH3C •H2 28.4±0.3 118.8±1.3 1997DOB/BEN

•C3H3, propargyl, CH≡CC •H2 81.0±1 339±4 1996TSA

•C3H3, CH3C≡C •• 121±3 506.3±12.6 2000SHI/ERV

•C3H3, CH2=C=CH • ↔ CH≡CC•H2 81.0±1 339.0±4.2 1996TSA

•C3H3, cyclopro-2-en-1-yl 105.1±4.1 439.7±17.2 1980DEF/MCI

•C3H5, allyl, CH2=CHC •H2 40.8±0.7 171±3 1996TSA

•C3H5, CH3CH=C •H 63.8±1.5 267±6 1999TSA

•C3H5, CH3C •=CH2 55.3 231.4 1990TAK

•C3H5, cyclopropyl 66.9±2.5 279.9±10.5 1979BAG/BEN

n-C3H7, • n-propyl, CH3CH2C

•H2 23.9±0.5 100±2 1996TSA

i-C3H7, • i-propyl, CH3C

•HCH3 21.0±0.7 88±3 1988RUS/SEE(b)

•C4H5, CH3C≡CC •H2 70.2±2 293.7±8.4 1982NGU/KIN

•C4H7, CH3CH=CHC •H2 34.9±2.0 146±8 1999TSA

•C4H7, CH2=CHCH2C •H2 46.0 192.5 1984SCH/HOU

•C4H7, CH2=C(CH3)C •H2 30.6±0.6 128.0±2.5 1991ROT/BAU

•C4H7, CH2=CHC •HCH3 31.8±1.5 133.1±6.5 1987LIA/AUS

•C4H7, cyclopropylmethyl 51.1±1.6 213.8±6.7 1971MCM/GOL

•C4H7, cyclobutyl 51.4±1.0 215.1±4.2 1972MCM/GOL

n-C4H9, • n-butyl, CH3CH2CH2C

•H2 18.6±0.5 77.8±2.1 1990WAL/TSA

i-C4H9, • i-butyl, (CH3)2CHC

•H2 16.7±1.0 70±4 1999TSA

s-C4H9, • s-butyl, CH3C

•HCH2CH3 16.2±0.5 67.8±2.1 1992SEA/PIL

t-C4H9, • t-butyl, (CH3)3C

• 11.5±0.7 48±3 1996TSA

•C5H5, CH2=CHC≡CC •H2 84.0 351.5 1992STA/KIN

•C5H5, cyclopenta-1,3-dien-5-yl 63.9±2 267.4±8.4 1997ROM/JAN

•C5H7, CH3C≡CC •HCH3 65.2±2.2 272.8±9.2 1981KIN/NGU

•C5H7, CH≡CC •HC2H5 66.2±2 277.0±8.4 1976LOS/TRA

•C5H7, CH≡CC •(CH3)2 61.5±2.2 257.3±9.2 1977KIN

•C5H7, CH2=CHCH=CHC •H2 49±3 205±12.6 1982MCM/GOL

•C5H7, (CH2=CH)2C •H 49.7±1.0 208.0±4.2 1991CLA/CUL

•C5H7, CH3CH=C=CHC •H2 66.9 278.0 2001TUM/DEN

•C5H7, spiropentyl 91.0±1.0 380.7±4.2 1971FER/WHI

•C5H7, cyclopent-1-en-3-yl 38.4±1.0 160.7±4.2 1970FUR/GOL(b)

•C5H9, cyclopentyl 25.3±1.0 105.9±4.2 1982CAS/GRI

•C5H9, CH2=CHC •HCH2CH3 26.2±2 109.6±8.4 1976LOS/TRA

•C5H9, CH3CH=CHC •H(CH3) 22 92 1988LIA/BAR

•C5H9, CH3CH=C(CH3)C •H2 22.0 92.0 2001TUM/DEN

•C5H9, CH2=CHC •(CH3)2 20.8±2 87.0±8.4 1970EGG/JOL

•C5H9, CH2=C(CH3)C •H(CH3) 22.4 93.7 2001TUM/DEN

•C5H9, CH2=C(C •H2)CH2CH3 27.3 114.2 2001TUM/DEN

•C5H9, CH2=CH(CH2)2C •H2 42.9 179.5 1996CAM/AUT

nC5H11, • CH3CH2CH2CH2C

•H2 13 54.4 1988LIA/BAR

•C5H11, (C2H5)2C •H 11.2 47.0 1996CAM/AUT

•C5H11, (nC3H7)(CH3)C •H 12 50.2 1988LIA/BAR

∆fHo(R)

C-centered radicals kcal/mol kJ/mol References

•C5H11, (CH3)3C •CH2 8.7±2 36.4±8.4 1969LAR/HAR

•C5H11, (C2H5)(CH3)2C • 7.0 29 1999TSA

•C6H5, phenyl 78.9±0.8 330.1±3.3 1994BER/ELL

•C6H7, cyclohexa-1,3-dien-5-yl 47.6 199.2 1991STE/BRO

•C6H7, cyclohexa-1,4-dien-3-yl 48.2±1.2 201.7±5.0 1986TSA

•C6H9, CH3C≡CC •(CH3)2 53.0±2.2 221.8±9.2 1981KIN/NGU

•C6H9, (CH2=CH)2C •(CH3) 46.3 193.7 1999LAA/MUL

•C6H9, cyclohexa-1-en-3-yl 28.6 119.7 1988BOR/CHE

•C6H11, CH2=CH(CH2)3C •H2 37.9 158.6 1996CAM/AUT

•C6H11, CH2=CHC •H(CH2)2CH3 21.3 89.0 2001TUM/DEN

•C6H11, CH2=C(CH3)C •(CH3)2 9.0±1.5 37.7±6.3 1973ROD/WU

•C6H11, (CH3)2C=C(CH3)C •H2 9.5±1.5 39.7±6.3 1973ROD/WU

•C6H11, (CH3)2C=CHC •H(CH3) 11.3 47.3 2001TUM/DEN

•C6H11, (Z)-CH3CH=CHC •(CH3)2 13.0 54.4 2001TUM/DEN

•C6H11, cyclohexyl 18±1.5 75.3±6.3 1981TSA

nC6H13, • CH3CH2CH2CH2CH2C

•H2 8 33.5 1988LIA/BAR

•C6H13, (nC4H9)(CH3)C •H 7 29.7 1988LIA/BAR

•C6H13, 2-methyl-2-pentyl 0.8±2 3.3±8.4 1983SER/GOR

•C6H13, 3-methyl-3-pentyl 3.4 14.2 1996CAM/AUT

•C6H13, 2,3-dimethyl-2-butyl 0.7±2.4 3.1±10 2000KIR/KOR

•C7H3, (CH=C)3C • 187.5 784.5 1990TAK

•C7H7, benzyl, C6H5C •H2 48.4±1.5 202.5 ±6.3 1994BER/ELL

•C7H7, quadricyclolan-5-yl 138.3 ±1.3 578.6±5.4 1996LEE/DEP

•C7H7, quadricyclolan-4-yl 140.4±1.3 587.4±5.4 1996LEE/DEP

•C7H7, norborna-2,5-dien-7-yl 122.3±1.9 511.7±7.9 1996LEE/DEP

•C7H7, cyclohepta-1,3,5-trien-7-yl 68.2±3 285.3±12.6 1980DEF/MCI

•C7H9, (CH2=CH)3C • 65.5 274.0 1990TAK

•C7H11, norborn-1-yl 32.6±2.5 136.4±10.5 1970ONE/BAG

•C7H11, cycloheptenyl 28.5 119.2 2001TUM/DEN

•C7H13, cyclo-[C •(CH2CH3)(CH2)4] 11.2 47.0 2001TUM/DEN

•C7H15, (nC5H11)(CH3)CH • 2 8.4 1988LIA/BAR

•C8H7, cubyl 198.6±4 831.0±16.7 1997HAR/EMR

•C8H9, C6H5C •H(CH3) 40.4 169.0 1982MCM/GOL

•C8H9, 1-phenyl-eth-2-yl 55.9 234.0 1989FRE/OLM

•C8H9, p-CH3C6H4C •H2 40 167.4 1986HAY/KRU

•C8H9, m-CH3C6H4C •H2 40 167.4 1986HAY/KRU

•C8H9, o-CH3C6H4C •H2 40 167.4 1986HAY/KRU

•C8H11, C6H5C •(CH3)2 32.0 134.0 1997LAA/BOR

•C8H13, CH2=CHCH=CHC •H(CH2)2CH3 31.2 130.5 2001TUM/DEN

•C8H13, CH2=CHC •H(CH2)3CH=CH2 31.2 130.5 2001TUM/DEN

•C8H13, bicyclooct-1-yl 22.0 92.0 1971DAN/TIP

•C8H15, CH2=CHC •H(CH2)4CH3 11.9 49.8 2001TUM/DEN

•C8H15, (E)-CH3CH=C •(CH2)4CH3 7.1 29.7 2001TUM/DEN

•C8H15, (Z)-(CH3)2C •CH=CHCH(CH3)2 2.2 9.2 2001TUM/DEN

•C8H15, cyclooctanyl 14.2 59.4 2001TUM/DEN

•C8H15, cyclo-[C •(CH2CH3)(CH2)5] 2.4 10.0 2001TUM/DEN

•C8H15, (E)-cyclo-[C •(CH3)CH(CH3)(CH2)4] –2.1 –8.8 2001TUM/DEM

•C8H15, (Z)-cyclo-[C •(CH3)CH(CH3)(CH2)4] 1.5 6.3 2001TUM/DEM

•C9H7, indenyl 71 297.1 1982MCM/GOL

•C9H9, indanyl-1 48.8±2 204.2±8.4 2000DEN/DEN

•C9H11, 2,6-dimethylbenzyl 29.8 124.7 1980BAR/STE

•C9H11, 3,6-dimethylbenzyl 29.8 124.7 1980BAR/STE

•C9H11, 3,5-dimethylbenzyl 29.8 124.7 1980BAR/STE

•C9H17, cyclononanyl 12.5 52.3 2001TUM/DEN

•C10H7, naphth-1-yl 96.0±1.3 401.7±5.4 2000REE/KAS

•C10H7, naphth-2-yl 95.7±1.4 400.4±5.9 2000REE/KAS

•C10H11, tetralin-1-yl 37±1.2 154.8±5.0 1997LAA/MUL

•C10H13, 1-phenyl-but-4-yl 45.9 192.0 1989FRE/OLM

•C10H13, (C6H5CH2)(C2H5)C •H 44.1 184.5 1989FRE/OLM

•C10H13, (C6H5CH2CH2)(CH3)C •H 44.1 184.5 1989FRE/OLM

∆fHo(R)

C-centered radicals kcal/mol kJ/mol References

•C10H15, 1-adamantyl 12.3 51.5 1986KRU/BEA

•C10H15, 2-adamantyl 14.8 61.9 1986KRU/BEA

•C10H19, cyclodecanyl 7.7 32.2 2001TUM/DEN

•C11H9, 1-naphthylmethyl 60.4 252.7 1982MCM/GOL

•C11H21, cycloundecanyl 1.8 7.5 2001TUM/DEN

•C12H23, cyclododecanyl –9.2 –38.5 2001TUM/DEN

•C13H9, 9-fluorenyl 71.1 297.5 1994RAK/VER

•C13H11, (C6H5)2C •H 72.2±1.0 302.1±4.2 1991PAR/HAN

•C13H11, 9-methyl-9-fluorenyl 64.1 268.2 1994RAK/VER

•C14H11, 9,10-dihydroanthracen-9-yl 62.4 261.0 1991STE/BRO

•C15H11, 9-anthracenylmethyl 80.7 337.6 1991PAK/HAN

•C15H11, 9-phenanthrenylmethyl 74.4 311.3 1982MCM/GOL

•C16H31, CH2=CHC •H(CH2)12CH3 –28.4 –118.8 2001TUM/DEN

•C19H15, trityl, (C6H5)3C • 93.7±2 392.0±8.4 1991PAR/HAN

•C35H25, pentamethylcyclopentadienyl 16.1 67.4 1995ROT/HUN

CF 57.5±2.4 240.6±10.0 1991GUR/VEY

CF2 –44.6±1.5 –186.6±6.3 1978ROD

FC•(O) –41 –171.5 1998CHA

CHF 34.2±3.0 143.0±12.6 1997POU/PAU

CClF 7.4±3.2 31.0±13.4 1997POU/PAU

CCl 120 502.0 1998CHA

CCl2 54.0 226 2000BOR/ING

ClC•(O) –5.2 –21.8 1990NIC/KRE

CHCl 78.0±2.0 326.4±8.4 1997POU/PAU

CClBr 63.8 267 2000BOR/ING

CBr 122 510.45 1998CHA

CBr2 77.4 324 2000BOR/ING

CI <86.8 <363.2 1977VOG/MIS

•CF3 –111.4±0.9 –466.1±3.8 1997ASH/RUS

•CH2F –7.6±1 –31.8±4.2 1983PIC/ROD

•CClF2 –66.7±2 –279.0±8.4 1992MIY/TSC

•CCl2F –21.3±2 –89.0±8.4 1992MIY/TSC

•CHClF –14.5±2.4 –60.7±10.0 1987TSC/PAD

•CCl3 17.0±0.6 71.1±2.5 1991HUD/JON

•CHCl2 22.3±1.0 93.3±4.2 1997POU/PAU

•CH2Cl 28.0±0.7 117.2±2.9 1996SEE

•CHBrCl 36.8±3 154.0±13 2000BOR/ING

•CHBr2 45.0±2.2 188.3±9.2 1987TSC/PAD

•CBr3 49.0±2 205.0±8.4 1988HOL/LOS

•CH2Br 40.4±1 169.0±4.2 1987TSC/PAD

•CHI2 79.8±2.2 333.9±9.2 1970ONE/BEN

•CH2I 54.9±2 229.7±8.4 1988HOL/LOS

•C2F, FC≡C • 110±5 460.0±21 1996ZAR/WES

•C2F3, CF2=C •F –45.9±2 –192.0±8.4 1983SPY/SAU

•C2F2H, CF2=C •H –22.2±2 –92.9±8.4 1981STE/ROW

•C2F2H, CHF=C •F –12.1±2 –50.6±8.4 1981STE/ROW

•CCl2H, CHCl=C •Cl 56.1±2 234.7±8.4 1981STE/ROW

•CClH2, CH2=C •Cl >60 >251.0 1989RUS/SEN

•C2F5, CF3C •F2 –213.4±1 –892.9±4.2 1981EVE/WHI

•C2HF4, CF3C •HF –162.7±2.3 –680.8±9.6 1983MAR/PAR

•C2HF4, CHF2C •F2 –158.9 –664.8 1996ZAR/WES

•C2H2F3, CF3C •H2 –123.6±2 –517.1±8.4 1974WU/ROD

•C2H2F3, CH2FC •F2 –107.5 –449.8 1996ZAR/WES

•C2H2F3, CHF2C •HF –109 –456.0 1996ZAR/WES

•C2H2F2Cl, CF2ClC •H2 –74.3±1.7 –310.9±7.0 1994PAD/CHE

•C2H3F2, CH3C •F2 –72.3±2 –302.5±8.4 1977PIC/ROD

•C2H3F2, CHF2C •H2 –68.3 –285.8 1996ZAR/WES

•C2H3F2, CH2FC •HF –57.0 –238.5 1996ZAR/WES

•C2H4F, CH3C •HF –16.8±2 –70.3±8.4 1996MIY/OZA

•C2H4F, CH2FC •H2 –14.2±2 –59.4±8.4 1996MIY/OZA

∆fHo(R)

C-centered radicals kcal/mol kJ/mol References

•C2F4Cl, CF2ClC •F2 –164 –686 1972FOO/TAI

•C2F3ClBr, CF3C •ClBr –120.5±2 –504.2±8.4 1982MCM/GOL

•C2HF3Cl, CClF2C •HF –107.7±3 –450.6±12.6 1998SKO/DYM

•C2Cl5, CCl3C •Cl2 8.4±1.3 35.1±5.4 1969FRA/HUY

•C2HCl4, CHCl2C •Cl2 5.6±2 23.4±8.4 1976LEW

•C2H3Cl2, CH3C •Cl2 10.2±0.4 42.5±1.7 1996SEE

•C2H4Cl, CH3C •HCl 18.3±0.4 76.5±1.6 1996SEE

•C2H4Cl, CH2ClC •H2 22.2±0.6 93.0±2.4 1998SEE

•C2H3Br2, CH3C •Br2 33.5±1.3 140.2±5.4 1999MIY/TSC

•C2H4Br, BrCH2C •H2 32.3 135.1 1988HOL/LOS

•C2H4Br, CH3C •HBr 30.3 126.8 1990MIY/TSC

n-C3F7, • CF3CF2C

•F2 104±2 435.1 ±8.4 1982MCM/GOL

i-C3F7, • CF3C

•FCF3 103.6±0.6 433.5±2.5 1983EVE/WEE

•C3H6Cl, CH3CH2C •HCl 13.5 56.6 1998SEE

•C6F5 –130.9 ± 2 –547.7±8.4 1974KRE/PRI

HOC•H2 –4.08 ± 0.8 –17.07±3.35 1994BER/ELL

HOCH2C •H2 –7 –29.3 1990TAK

CH3C •HOH –13.3±0.8 –55.6±3.5 2001SUN/BOZ

•C2H3O, oxiran-2-yl 35.8±1.5 149.8±6.3 1984BAL/KEE

CH3CH2C •HOH –19.4±1 –81±4 1999TSA

(CH3)C •HCH2OH 18.8±2 78.7±8.4 1992HOL

HOCH2CH2C •H2 –16.0±2 –66.9±8.4 1992HOL

(CH3)2C •OH –26.3±1 –110.0±4.2 1982MCM/GOL

•CH2CH(OH)CH3 –15.0±2.8 –62.8±11.7 2002SUN/BOZ

•CH2C(OH)(CH3)2 –35.2±2 –147.3±8.4 1992HOL

(CH2=CH)2C •OH 22.1±2 92.5±8.4 1991CLA/CUL

CH2=CHC •HOH 0 ± 2 0±8.4 1973ALF/GOL

Ph2C •OH 36.4±1.5 152.3±6.3 1973TRE

(CH3)2(CH2)C •OH –26.8±2 –121.1±8.4 1982MCM/GOL

CH3CH2OC •HCH3 –19.4±1 –81.2±4.2 1986BUR/MAJ

HOCH2C •HOH –52.6±2 –220.1±8.4 1992HOL

C•H=C=O 41.9±2 175.3±8.4 1994BER/ELL

HC•(O) 9.96±0.20 41.67±0.84 1994BER/ELL

CH3C •(O) –2.4±0.2 –10.0±0.8 1994BER/ELL

CF3C •(O) –128.4 –537.2 1995TAK/PAS

CH3CH2C •(O) –7.7±1 –32.3±4.2 2000ATK/BAU

CH2CHC •(O) 19.3±2 80.8±8.4 1995LUN/DAA

C6H5C •(O) 27.8±2.6 116.3±10.9 1989SIM/GRI

HC(O)CH2 • 2.5±2.2 10.5±9.2 1994BER/ELL

CH3C(O)CH2 • –8.1±0.7 –34.0±3 2001BOU/CHA

CH3C(O)C •HCH3 –16.8±1.7 –70.3±7.1 1970SOL/BEN

CH3C(O)C •=CH2 27.1 113.4 1990TAK

C2H5C(O)C •HCH3 –25.7±5 –107.5±20.9 1990BOR/HAR

iPrC(O)C•(CH3)2 –41.5± 5 –173.6±20.9 1990BOR/HAR

tC4H9C(O)C •H2 –27.6±3 –115.5±12.6 1990BOR/HAR

PhC(O)C•H2 20.2±3 84.5±12.6 1990BOR/HAR

PhC(O)C•HCH3 9.9±5 41.4±20.9 1990BOR/HAR

PhC•HC(O)CH2Ph 32.1± 3 134.3±20.9 1990BOR/HAR

PhC(O)OC•H2 –16.7 –69.9 1970SOL/BEN

•C(O)OH –46.5±0.7 –194.6±2.9 1994BER/ELL

•C(O)OCH3 –40.5±2 –169.5±8.4 1991HOL/LOS

C•H2C(O)OH –60.2±2.9 –252.0±12.0 1994WEN/SQU

C•H2C(O)OCH3 –56.6±2 –236.8±8.4 1991HOL/LOS

C•H2C(O)OCH2CH3 –62.2±3 –260.2±12.6 1995BOR/ZHA

C•H2C(O)OPh –6.7 –28.0 1973ALF/GOL

•C4H7O, tetrahydrofuran-2-yl –4.3±1.5 –18.0±6.3 1982MCM/GOL

•C4H8O, cyclopentanon-2-yl –10±3 –41.8±12.6 1991BOR/GAL

•C4H7O2, 1,4-dioxan-2-yl –31.5±3 –131.8±12.6 2000KRA/CIR

•C7H5O2, 2-C(O)OH-•C6H4 –7.9 –33.0 1998NAS/SQU

•C7H5O2, 3-C(O)OH-•C6H4 –8.4 –35.0 1998NAS/SQU

∆fHo(R)

C-centered radicals kcal/mol kJ/mol References

•C7H5O2, 4-C(O)OH-•C6H4 –8.6 –36.0 1998NAS/SQU

•CHN2 118.2 494.5 1996FUL/HIP

•CH2NH2 36.3±2 151.9±8.4 1983BUR/CAS

CH3C •HNH2 26.7±2 111.7±8.4 1983BUR/CAS

(CH3)2C •NH2 16.7±2 69.9±8.4 1983BUR/CAS

•CH2NHCH3 30.5±2 127.6±8.4 1981GRI/LOS

•CH2N(CH3)2 33.2±2 139.0±8.4 1999LAA/MUL

(C2H5)2NC •HCH3 16.4±0.5 68.6±2.1 1990DOM/DIN

•CH2N(CH3)Ph 63.6±3 266.0±12.6 1999DOM/DIN

•CH2NC 78.0±2.7 326.4±11.3 1987MOR/ELL(b)

•CN 105.5±1.1 441.4±4.6 1994BER/ELL

•CH2CN 60.4±1 252.6± 4 2000LAF/SZA

CH3C •HCN 54.2±3 226.7±12.6 1999SEN/IKE

(CH3)2C •CN 45.5±3 190.4±12.6 1998BRO/BEC

Ph(CH3)C •CN 59.4±2 248.5±8.4 1982MEO

H2C •NN 69.9±0.5 292.5±2.1 2000BIS/HOO

•CH2NO2 27.5±3 115.1±12.6 1994BOR/SAT

CH3C •HNO2 14.8±3 61.9±12.6 1994BOR/SAT

(CH3)2C •NO2 1.5±3 6.3±12.6 1994BOR/SAT

PhC•HNO2 40.4±3 169.0±12.6 1995BOR/ZHA(c)

•C6H6N, 3-NH2-C6H4 76.5 320.1 1975MAT/NAS

•C6H4NO2, 3-NO2-C6H4 81.4±2.4 340.6±10.0 1985GON/LAR

•C6H3N2O4, 3,5-(NO2)2-C6H3 73.0 305.4 1975MAT/NAS

•C7H6NO2, 2-Me-4-NO2-C6H3 70.6±2 295.4±8.4 1985GON/LAR

•C4H3N, pyrrol-2-yl 92.2 385.8 1991MAC/COL

•C4H3N, pyrrol-3-yl 92.2 385.8 1991MAC/COL

•C4H8N, pyrrolidin-2-yl 34.1±3 142.7±12.6 2000KRA/CIR

•C5H4N, pyrid-2-yl 86.5 362.0 1997KIE/ZHA

•C5H4N, pyrid-3-yl 93.5 391.0 1997KIE/ZHA

•C4H3N2, pyrimid-2-yl 92.7 388.0 1997KIE/ZHA

•C4H3N2, pyrimid-4-yl 97.7 409.0 1997KIE/ZHA

•C4H3N2, pyrimid-5-yl 106.7 446.4 1997KIE/ZHA

CS 55.9 233.9 2002CRC

C•(S)H 71.8±2 300.4±8.4 1994BER/ELL

•CH2SH 36.3±2 151.9±8.4 1994BER/ELL

•CH2SCH3 32.7±1.4 136.8±5.9 1994JEF/NIC

•CH2SPh 64.2±3 268.6±12.6 1993ZHA/BOR

•CH2SOCH3 5.7±3 23.8±12.6 1998BOR/LIU

HOC•(S)S 26.4 110.5 1990MUR/LOV

•CH2SO2CH3 –42.3±3 –177.0±12.6 1992BOR/HAR

•CH2SO2Ph –13.7±3 –57.3±12.6 1992BOR/HAR

PhC•HSO2CH3 –26.1±3 –109.2±12.6 1992ZHA/BOR

PhC•HSO2Ph 1.7±3 7.0±12.6 2001ORL/TUR

Ph2C •SO2Ph 24.4±3 102.0±12.6 2001ORL/TUR

Ph2C •SPh 104.1±3 435.6±12.6 2001ORL/TUR

NC•(O) 30.4 127.2 1996ZYR/DRO

•CNO 97.3 407.1 1987KOC/FRE

•CH2SiMe3 –7.6±1.5 –32±6 1998BEC/WAL

•CH2C(CH3)2SiMe3 –29.8 –125 1998BEC/WAL

Table 11.3.2 Heats of Formation of O-Centered Radicals

∆fHo(R)

O-centered radicals kcal/mol kJ/mol References

HO• 9.40±0.05 39.33±0.21 1994BER/ELL

FO• 26 108.8 1998CHA

ClO• 24.2 101.3 1998CHA

BrO• 30 125.5 1998CHA

IO• 30 125.5 1998CHA

HOO• 3.5 14.6 1983SHU/BEN

∆fHo(R)

O-centered radicals kcal/mol kJ/mol References

FOO• 6.2 25.9 1987PAG/RAT

ClOO• 23.3 97.5 1991NIC/KRE

OClO• 22.8 95.4 1994NIC/FRI

NCO• 44.0 184.1 1990TAK

sym-ClO3 51.9±5 217.2±21 1992COL/SAN

HSOO• 26.8 112.0 1999ARM

CH3SOO • 18.2 760 1999ARM

CF3SO2O • –218 –912.0 1995TAK/PAS

O3 34.1 142.7 1998CHA

NCO• 44.0 184.0 1990TAK

O2NO • 15.4 64.4 1988MCD/DAV

CH3O • 4.1±0.9 17.2±3.8 1994BER/ELL

CH2=CH-O • 4.4±0.3 18.4±1.3 2002SEB/BOC

C2H5O • –3.7±0.8 –15.5±3.3 1994BER/ELL

nC3H7O • –7.2±2 –30.1±8.4 1973BEN/ONE

iC3H7O • –12.5 52.3 1974BAT/CHR

nC4H9O • –15 62.8 1974BAT/CHR

sC4H9O • –16.6 –69.5 1974BAT/CHR

tC4H9O • –22.3 –93.3 1997BEN/COH

C6H5O • 12.9±1.5 54±6 1996TSA

C6H5CH2O • 25.6±3 107.1±12.6 1996BOR/LIU

C10H7O, • naphthoxy-1 39.5 165.3 1975MAH/DAR

C10H7O, • naphthoxy-2 41.6 174.1 1975MAH/DAR

CF3O • –151.8±1.7 –635.1±7.1 2000REI/PRA

HC(O)O• –36.0±2 –150.6±8.4 1976BEN

FC(O)O• –88 368.0 1995TAK/PAS

CH3C(O)O • –49.6 ±1 –207.5±4.2 1973BEN/ONE

CF3C(O)O • –190.5 –797.0 1995TAK/PAS

CH3CH2C(O)O • –54.6±1 –228.4±4.2 1973BEN/ONE

CH3OO • 2.2±1.2 9.0±5.1 1998KNY/SLA(b)

C2H5OO • –6.5±2.4 –27.4±9.9 1998KNY/SLA(b)

iC3H7OO • –15.6±2.7 –65.4±11.3 1998KNY/SLA(b)

tC4H9OO • –24.3±2.2 –101.5±9.2 1998KNY/SLA(b)

CH2=CHCH2OO • 21.2 88.7 2002LEE/CHE

CH3CH=CHCH2OO • 19.7±1.3 82.6±5.3 1998KNY/SLA

C6H5CH2OO • 27.4±1 114.6±4.2 1993ELM/MIN

c-C6H7OO, • R=cyclohexadienyl 36.2±3 151.6±12.6 2000KRA/CIR

c-C6H11OO • –6.0±2.5 –25.0±10.5 2000KRA/CIR

c-C4H8NOO, • R=pyrrolidin-2-yl 24.2±3 101.3±12.6 2000KRA/CIR

(C2H5)N(CH3)CHOO • –8.6±3 –36.0±12.6 2000KRA/CIR

C4H7O-OO, • R=tetrahydrofuran-2-yl –36.3±4 –152.0±16.7 2000KRA/CIR

C4H7O2-OO, • R=dioxan-2-yl –65.5±4 –274.0±16.7 2000KRA/CIR

HOCH2OO • –38.7±0.5 –162.0±2.0 1992LIG/COX

CH3C(O)OO • –41.1±4.8 –172.0±20.0 1991BRI/CAR

CF3OO • –146.7±3.7 –614.0±15.4 1992LIG/COX

CF2ClOO • –97.2±3.5 –406.7±14.6 1992LIG/COX

CFCl2OO • –51.1 –213.8 1992LIG/COX

CH2ClOO • –1.2±3.3 –5.1±13.6 1998KNY/SLA(b)

CHCl2OO • –4.6±2.7 –19.2±11.2 1998KNY/SLA(b)

CCl3OO • –5.0±2.1 –20.9±8.9 1998KNY/SLA(b)

CH3CHClOO • –13.1±0.8 –54.7±3.4 1998KNY/SLA(b)

CH3CCl2OO • –15.2±2.3 –63.8±9.8 1998KNY/SLA(b)

Table 11.3.3 Heats of Formation of N-Centered Radicals

∆fHo(R)

N-centered radicals kcal/mol kJ/mol References

ON 21.58 90.29 1998CHA

NO2 7.91 33.10 1998CHA

ONOO 17.0 71.1 1998CHA

∆fHo(R)

N-centered radicals kcal/mol kJ/mol References

N2O 19.61 82.05 1998CHA

NH 90.0 376.6 1998CHA

•NH2 45.1±0.3 188.7±1.3 1994BER/ELL

HON• 27.0 113.0 1996DIX

•N3 112±5 486.6±20.9 1982MCM/GOL

•N2H3 58.2 243.5 1988GRE/COL

(Z)-N2H2 50.9 213 1998CHA

NF 50 209.2 1979HUB/HER

•NF2 10.1 42.3 1998CHA

FNO –15.7 –65.7 1998CHA

ClNO 12.36 51.71 1998CHA

BrNO 19.63 82.13 1998CHA

INO 26.8 112.1 1998CHA

NCO 31.3 131 1999ARM(b)

NH2C(O)N •H 0.2±3 0.8±12.6 1991BOR/JI(b)

CH3C(O)N •H –1.6±3 –6.7±12.6 1991BOR/JI(b)

NH2C(S)N •H 46.4±3 194.0±12.6 2001ORL/TUR

CH3C(S)N •H 41.3±3 173.0±12.6 2001ORL/TUR

PhC(S)N•H 73.4±3 307.0±12.6 2001ORL/TUR

HCON•H 11.9±3 49.8±12.6 1995BOR/ZHA

NH2C(NH)N •H 59.9±3 250.6±12.6 1991BOR/JI(b)

•NHCN 79.4 332.2 1993ESP/COR

NCN• 111.1±0.7 464.8±3 1999BIS/CHO

HN•CN 76.3±0.7 319.2±3 2001BIS/HOO

CH2N •H 25.0 ± 3 104.6±12.6 1988GRE/COL

CH3N •H 44.0 ± 2 184.1±8.4 1988COL

tBuN•H 22.8 ± 3 95.4±12.6 1998BOR/LIU

C6H5CH2N •H 68.9±3 288.3±12.6 1998BOR/LIU

C6H5N •H 58.4 ± 1 244.3±4.2 1997MAC/WAY

(C6H5)(CH3)N • 57.6±1 241.0±6.3 1993BOR/ZHA

(C6H5)2N • 87.5±1.5 366.0±6.3 1997MAC/WAY

1-pyrrolyl 70.8±3 269.2±12.6 1991BOR/JI(b)

carbazol-9-yl 91.6±2 383.3±4.2 1992ARE/VEN

CH3N2 • 51.5±1.8 215.5±7.5 1987ACS/PET

C2H5N2 • 44.8±2.5 187.4±10.5 1987ACS/PET

iC3H7N2 • 34.9±2 146.0±8.4 this volume

nC4H9N2 • 33.6±2 140.6±8.4 this volume

tC4H9N2 • 23.3±2 97.5±4.2 this volume

Table 11.3.4 Heats of Formation of S-Centered Radicals

∆fHo(R)

S-centered radicals kcal/mol kJ/mol References

SO 1.2 5.0 1998CHA

SO2 –70.95 –296.84 1998CHA

SO3 –94.6 –395.8 1998CHA

S2O –13.5 –56.5 1998CHA

HOS• –0.9±0.7 –3.8±2.9 1993BAL/CAS

HC(O)S• 13.5 56.5 1990TAK

HS•O2 –53 –221.8 1980BOY/GUP

HOS•O2 –92 –384.9 1984MAR

NCS• 71.7 ± 2 300.0±8.0 1999ARM

HS• 34.18±0.68 143.01±2.85 1994BER/ELL

CH3S • 29.8±0.4 124.7±1.7 1994BER/ELL

C2H5S • 24.1 101 1999ARM

nC3H7S • 19.1 80 1999ARM

C6H5S • 58.0±1.1 242.7 ± 4.6 2002SAN/MUR

C6H5CH2S • 58.9 246.0 2001ORL/TUR

CH3S •O2 –57.2 –239.3 1971SOL/BEN

HSS• 27.6±3.5 115.5±14.6 1993OHA/DEP

∆fHo(R)

S-centered radicals kcal/mol kJ/mol References

CH3SS • 16.4±2 68.6±8.4 1986HOW/GRI

C2H5SS • 10.4±2 43.5±8.4 1986HOW/GRI

iC3H7SS • 3.3±2 13.8±8.4 1986HOW/GRI

tC4H9SS • –4.6±2 –19.2±8.4 1986HOW/GRI

HOC(S)S• 26.4 110.5 1990MUR/LOV

HC(O)S• 13.5 56.5 1990TAK

SF 3.1 13.0 1998CHA

SF2 –70.9 –296.7 1998CHA

SF3 –120.2 –503.0 1998CHA

SF4 –178.3±3 –746.0±12.6 1998CHA

SF5 –210.3±4.8 –879.9±21 1998CHA

SN 63.0 263.6 1998CHA

Table 11.3.5 Heats of Formation of Si, Ge-, and Sn-Centered Radicals

∆fHo(R)

Si, Ge-, Sn-centered radicals kcal/mol kJ/mol References

SiF –4.8 –20.1 1998CHA

SiF2 –152.5±1.5 –638±6 1998BEC/WAL

•SiF3 –235.9±4 –987±20 1998BEC/WAL

SiCl 47.4 199.6 1998CHA

SiCl2 –40.4±0.7 –169±3 1998BEC/WAL

•SiCl3 –77.0±2 322±8 1998BEC/WAL

SiBr 56.2 235.1 1988CHA

SiBr2 –11.0 ± 2 46±8 1998BEC/WAL

•SiBr3 –48.2 –201.7 1998CHA

SiI 75.0 313.8 1998CHA

SiI2 22.0±2 92±8 1998BEC/WAL

•SiI3 8.4 35.1 1998CHA

SiH2 65.2±0.5 273±2 1998BEC/WAL

•SiH3 47.9±0.6 200.4±2.5 1994BER/ELL

MeSi•H2 33.7±1.5 141±6 1998BEC/WAL

Me2Si •H 18.6±1.5 78±6 1998BEC/WAL

Me3Si • 3.6±1.6 15±7 1998BEC/WAL

H3SiSi •H2 55.9±1.5 234±6 1998BEC/WAL

C6H5Si •H2 65.5 274 1998BEC/WAL

H3SiSi •H 74.6±2 312±8 1998BEC/WAL

MeSi•H 48.3±1.5 202±6 1998BEC/WAL

Me2Si •• 32.3±2 135±8 1998BEC/WAL

•GeH3 53.0±2 221.8±8.4 1994BER/ELL

The group additivity values (GAVs) are available in 1976BEN, and updated GAVs are available in 1993COH/BEN, 1996COH, and 1997BEN/COH.