ABSTRACT
CH3 CASRN: 3073-66-3; molecular formula: C9H18; FW: 126.24; RTECS: GV7650000 Physical state, color, and odor: Clear, colorless, flammable liquid with an odor resembling methylcyclohexane. Melting point (°C): -65.7 (Dreisbach, 1959) Boiling point (°C): 136.6 (Dean, 1987) 138-139 (Weast, 1986) Density (g/cm3): 0.7664 at 20 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 0.66 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: >14 (Schwarzenbach et al., 1993) Henry’s law constant (atm⋅m3/mol): 1.1 at 25 °C (Mackay and Shiu, 1981) Ionization potential (eV): 9.39 (Mallard and Linstrom, 1998) 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: Unavailable because experimental methods for estimation of this parameter for alicyclic hydrocarbons are lacking in the documented literature Solubility in organics: Miscible with cyclopentane, cyclohexane, methylcyclohexane, dimethylcyclohexane, and trimethylcyclohexane isomers Solubility in water: 1.77 mg/kg at 25 °C (shake flask-GLC, Price, 1976) Vapor density: 4.36 g/L at 25 °C, 3.68 (air = 1)
11.1 (estimated using Antoine equation, Dean, 1987) Environmental fate: Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 1,1,3-Trimethylcyclohexane will not hydrolyze because it does not contain a hydrolyzable functional group. Toxicity: EC50 (48-h static bioassay) for Daphnia pulex 1,000 µg/L (Passino-Reader et al., 1997). Uses: Organic synthesis; gasoline component.
