ABSTRACT
Note: According to Chevron Phillips Company’s (2004) Technical Data Sheet, 99.0-99.4 wt % methylcyclohexane contains the 0.2 wt % toluene. CASRN: 108-87-2; DOT: 2296; molecular formula: C7H14; FW: 98.19; RTECS: GV6125000 Physical state, color, and odor: Clear colorless, very flammable liquid with a faint odor similar to benzene or cyclohexane. An odor threshold concentration of 150 ppbv was reported by Nagata and Takeuchi (1990). Melting point (°C): -126.6 (Weast, 1986) Boiling point (°C): 100.8 (Martínez-Soria et al., 1999) Density (g/cm3): 0.7694 at 20 °C (Kay, 1947) 0.76487 at 25.00 °C (Martínez-Soria et al., 1999) Diffusivity in water (x 10-5 cm2/sec): 0.77 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: >14 (Schwarzenbach et al., 1993) Flash point (°C): -3.9 (NIOSH, 1997) Lower explosive limit (%): 1.2 (NIOSH, 1997) Upper explosive limit (%): 6.7 (NIOSH, 1997) Heat of fusion (kcal/mol): 1.615 (quoted, Riddick et al., 1986) Henry’s law constant (atm⋅m3/mol): 0.125 at 27.3 °C, 0.342 at 35.8 °C, 0.715 at 45.0 °C (dynamic headspace, Hansen et al., 1995) 0.0678 at 25.0 °C (Ramachandran et al., 1996) Ionization potential (eV): 9.85 ± 0.03 (Franklin et al., 1969)
41.9 at 25 °C (quoted, Freitas et al., 1997) Soil organic carbon/water partition coefficient, log Koc: Unavailable because experimental methods for estimation of this parameter for alicyclic hydrocarbons are lacking in the documented literature Octanol/water partition coefficient, log Kow: 2.82 (Hansch and Leo, 1979) 2.49 at 25.0 °C (shake flask-GLC, Park and Park, 2000) Solubility in organics: In methanol, g/L: 269 at 5 °C, 298 at 10 °C, 332 at 15 °C, 372 at 20 °C, 422 at 25 °C, 488 at 30 °C, 575 at 35 °C, 709 at 40 °C (Kiser et al., 1961).
