ABSTRACT
ANTHRACENE Synonyms: AI3-00105; Anthracin; BRN 1905429; CCRIS 767; EINECS 204-371-1; Green oil; NSC 7958; Paranaphthalene; Tetra olive N2G.
Note: May contain the following impurities: carbazole, chrysene, phenanthrene, tetracene, naphthacene, and pyridine (WHO, 1998). CASRN: 120-12-7; molecular formula: C14H10; FW: 178.24; RTECS: CA9350000; Merck Index: 12, 721 Physical state, color, and odor: White to yellow crystalline flakes or crystals with a bluish or violet fluorescence and a weak aromatic odor. Impurities (naphthacene, tetracene) impart a yellowish color with green fluorescence. Melting point (°C): 216.2-216.4 (Aldrich, 1990) 219.5 (Casellato et al., 1973) Boiling point (°C): 339.9 (Dean, 1973) Density (g/cm3): 1.24 at 20 °C (Weiss, 1986) 1.283 at 25 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 0.303 at 4 °C, 0.418 at 25 °C, 0.567 at 40 °C (open tube elution method, Gustafson and Dickhut,
1994) Flash point (°C): 121.1 (Weiss, 1986) Lower explosive limit (%): 0.6 (Weiss, 1986) Dissociation constant, pKa: >15 (Christensen et al., 1975) Entropy of fusion (cal/mol⋅K): 14.1 (Tsonopoulos and Prausnitz, 1971; Wauchope and Getzen, 1972) 14.36 (Goursot et al., 1970) Heat of fusion (kcal/mol): 6.93 (Wauchope and Getzen, 1972) 7.0201 (Goursot et al., 1970) Henry’s law constant (x 10-5 atm⋅m3/mol): 6.51 at 25 °C (batch stripping, Southworth, 1979)
7.56 at 25 °C (gas stripping-UV spectrophotometry, Shiu and Mackay, 1997) 4.88 at 25 °C (gas stripping, Alaee et al., 1996) 1.23, 2.09, 3.45, 5.57, and 8.25 at 4.1, 11.0, 18.0, 25.0, and 31.0 °C, respectively (Bamford et al.,
1998) 1.22 at 4 °C, 6.42 at 25 °C (dynamic equilibrium method, Bamford et al., 1999) Ionization potential (eV): 7.55 (Krishna and Gupta, 1970) 7.43 (Cavalieri and Rogan, 1985) Bioconcentration factor, log BCF: 3.83 (activated sludge), 2.96 (golden ide) (Freitag et al., 1985) 2.58 (Daphnia pulex, Southworth et al., 1978) 2.95 (bluegill sunfish, Spacie et al., 1983) 2.21 (goldfish, Ogata et al., 1984) 3.89 (Chlorella fusca, Geyer et al., 1981, 1984; Freitag et al., 1982) Apparent values of 3.8 (wet wt) and 5.5 (lipid wt) for freshwater isopods including Asellus
aquaticus (L.) (van Hattum et al., 1998) 2.54 (freshwater mussel Utterbackia imbecillis, Weinstein et al., 2001) Soil organic carbon/water partition coefficient, log Koc: 4.27 (aquifer sands, Abdul et al., 1987) 4.41 (average silt fraction from Doe Run and Hickory Hill sediments, Karickhoff et al., 1979) 4.205 (Nkedi-Kizza et., 1985) 4.50 (humic acid, Landrum et al., 1984) 4.42, 4.53 (RP-HPLC immobilized humic acids, Szabo et al., 1990) 4.44 (flint aquifer material, Abdul and Gibson, 1986) 4.93 (Gauthier et al., 1986) 5.76 (average, Kayal and Connell, 1990) 4.11 (fine sand, Enfield et al., 1989) 4.73, 5.18, 5.86 (San Francisco, CA mudflat sediments, Maruya et al., 1996) 6.7 (average value using 8 river bed sediments from the Netherlands, van Hattum et al., 1998) Average Kd values for sorption of anthracene to corundum (α-Al2O3) and hematite (α-Fe2O3) were
0.0666 and 0.226 mL/g, respectively (Mader et al., 1997) 4.72 and 4.94 for Na+-montmorillonite containing 0.025 and 0.017 foc, respectively (Onken and
Traina, 1997) 4.38 (estimated from HPLC capacity factors, Hodson and Williams, 1988) 4.3 (HPLC-humic acid column, Jonassen et al., 2003) 4.27-7.51 based on 100 sediment determinations; average value = 5.75 (Hawthorne et al., 2006) Octanol/water partition coefficient, log Kow: 4.45 (Hansch and Fujita, 1964; estimated using HPLC, DeKock and Lord, 1987) 4.51 (estimated from HPLC capacity factors, Eadsforth, 1986) 4.54 (Miller et al., 1985) 4.34 (Mackay, 1982) 4.63 (Bruggeman et al., 1982) 4.68 at 25 °C (shake flask-HPLC, de Maagd et al., 1998) Solubility in organics: Ethanol (14.9 g/L), methanol (14.3 g/L), benzene (16.1 g/L), carbon disulfide (32.3 g/L), carbon
6.6, 21, and 16 mM at 25 °C in isooctane, butyl ether, and pentyl ether, respectively (Anderson et al., 1980).
