ABSTRACT
H3C CH3 CASRN: 14686-13-6; DOT: 2278; molecular formula: C7H14; FW: 98.19 Physical state, color, and odor: Clear, colorless liquid with a characteristic odor. Melting point (°C): -109.5 (Weast, 1986) Boiling point (°C): 98 (Weast, 1986) Density (g/cm3): 0.7012 at 20 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 0.72 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: >14 (Schwarzenbach et al., 1993) Flash point (°C): -1 (Aldrich, 1990); -2.2 (commercial grade containing both isomers, Hawley, 1981) Henry’s law constant (atm⋅m3/mol): 0.422 at 25 °C (approximate - calculated from water solubility and vapor pressure) Soil organic carbon/water partition coefficient, log Koc: Unavailable because experimental methods for estimation of this parameter for aliphatic hydrocarbons are lacking in the documented literature Octanol/water partition coefficient, log Kow: 2.88 using method of Hansch et al. (1968) Solubility in organics: Soluble in acetone, alcohol, benzene, chloroform, and ether (Weast, 1986) Solubility in water (isomeric mixture): 15 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966) 15.0 mg/kg at 23.5 °C (mixture, elution chromatography, Schwarz, 1980) 271.6 µmol/L at 25 °C (shake flask-titration, Natarajan and Venkatachalam, 1972) Vapor density: 4.01 g/L at 25 °C, 3.39 (air = 1) Vapor pressure (mmHg): 49 at 25 °C (Wilhoit and Zwolinski, 1971)
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. Uses: Organic synthesis.
