ABSTRACT
CASRN: 95-47-6; DOT: 1307; DOT label: Flammable liquid; molecular formula: C8H10; FW: 106.17; RTECS: ZE2450000; Merck Index: 12, 10214 Physical state, color, and odor: Clear, colorless liquid with an aromatic odor. An odor threshold concentration of 380 ppbv was reported by Nagata and Takeuchi (1990). Melting point (°C): -25.2 (Weast, 1986) Boiling point (°C): 144.40 (Lores et al., 1999) Density (g/cm3): 0.87549 at 25.00 °C (Lores et al., 1999) 0.856 at 30 °C, 0.855 at 35 °C, 0.850 at 40 °C, 0.847 at 45 °C (Swain et al., 1997) 0.87181 at 35.00 °C (Goud et al., 1999) Diffusivity in water (x 10-5 cm2/sec): 0.70 at 25 °C at saturation in heavy water (Price and Söderman, 2000) Dissociation constant, pKa: >15 (Christensen et al., 1975) Flash point (°C): 33 (NIOSH, 1997) 17 (Windholz et al., 1976) Lower explosive limit (%): 0.9 (NIOSH, 1997) Upper explosive limit (%): 6.7 (NIOSH, 1997) Entropy of fusion (cal/mol⋅K): 13.11 (Pitzer and Scott, 1943) Heat of fusion (kcal/mol): 3.250 (Pitzer and Scott, 1941) Henry’s law constant (x 10-3 atm⋅m3/mol): 5.0 (Pankow and Rosen, 1988) 3.45 (Wasik and Tsang, 1970)
4.40 at 25 °C (static headspace-GC, Welke et al., 1998) 2.85, 3.61, 4.74, 4.87, and 6.26 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth et al.,
1988) Distilled water: 1.47, 1.24, 1.62, 3.28, and 4.24 at 2.0, 6.0, 10.0, 18.2, and 25.0 °C, respectively;
natural seawater: 1.86 and 4.89 at 6.0 and 25.0 °C, respectively (EPICS, Dewulf et al., 1995) 4.99, 6.29, 10.9, 10.6, and 11.6 at 25, 30, 40, 45, and 50 °C, respectively (variable headspace,
Robbins et al., 1993) 5.81 at 23 °C (Anderson, 1992) 14.0 at 45.00 °C, 16.4 at 50.00 °C, 19.0 at 55.00 °C, 21.3 at 60.00 °C, 26.3 at 70.00 °C (static
headspace-GC, Park et al., 2004) Interfacial tension with water (dyn/cm): 37.2 at 25 °C (Donahue and Bartell, 1952) 35.7 at 23 °C (Lord et al., 1997) 36.06 at 20 °C (Harkins et al., 1920) Ionization potential (eV): 8.56 (Franklin et al., 1969) Bioconcentration factor, log BCF: 0.70 (clams, Nunes and Benville, 1979) 1.33 (eels, Ogata and Miyake, 1978) 1.15 (goldfish, Ogata et al., 1984) 2.34 (Selenastrum capricornutum, Herman et al., 1991) Soil organic carbon/water partition coefficient, log Koc: 2.11 (Abdul et al., 1987) 2.41 (Catlin soil, Roy et al., 1985, 1987) 2.35 (estuarine sediment, Vowles and Mantoura, 1987) 2.03 (Grimsby silt loam), 1.92 (Vaudreil sandy loam), 2.07 (Wendover silty clay) (Nathwani and
Phillips, 1977) 2.32 (river sediment), 2.40 (coal wastewater sediment) (Kopinke et al., 1995) 2.37, 2.40 (RP-HPLC immobilized humic acids, Szabo et al., 1990) 3.07-3.30 (glaciofluvial, sandy aquifer, Nielsen et al., 1996) 1.68-1.83 (Nathwani and Phillips, 1977) 2.40, 2.70, 2.58, 2.68, 2.73, 2.69, and 2.68 at 2.3, 3.8, 6.2, 8.0, 13.5, 18.6, and 25.0 °C,
respectively, for a Leie River (Belgium) clay (Dewulf et al., 1999a) 2.73 (estimated from HPLC capacity factors, Hodson and Williams, 1988) Octanol/water partition coefficient, log Kow: 3.13 (generator column-HPLC, Tewari et al., 1982; generator column-HPLC/GC, Wasik et al.,
1981, 1983; generator column-HPLC/GC, Wasik et al., 1981) 2.98 (shake flask-GC, Jaynes and Vance, 1996) 3.12 (Tuazon et al., 1986a) 3.18 (HPLC, 1984; RP-HPLC, Garst and Wilson, 1984) 3.19 (estimated from HPLC capacity factors, Hammers et al., 1982) Solubility in organics: Soluble in acetone, ethanol, benzene, and ether (Weast, 1986) and many other organic solvents including toluene.
