ABSTRACT
CASRN: 562-49-2; DOT: 1993; DOT label: flammable liquid; molecular formula: C7H16; FW: 100.20 Physical state and color: Colorless, mobile liquid with an odor resembling heptane or gasoline. Evaporates when spilled forming combustible vapors. Melting point (°C): -134.4 (Weast, 1986) Boiling point (°C): 86.1 (Weast, 1986) Density (g/cm3): 0.69327 at 20 °C, 0.68908 at 25 °C (Dreisbach, 1959) Diffusivity in water (x 10-5 cm2/sec): 0.71 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: >14 (Schwarzenbach et al., 1993) Flash point (°C): -6 (Aldrich, 1990) Heat of fusion (kcal/mol): 1.69 (Dreisbach, 1959) Henry’s law constant (atm⋅m3/mol): 1.85 at 25 °C (Mackay and Shiu, 1981) 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: 5.19 (shake flask, Abraham, 1994) Solubility in organics: Soluble in acetone, alcohol, benzene, chloroform, and ether (Weast, 1986) Solubility in water (mg/kg): 5.92 at 25 °C, 6.78 at 40.1 °C, 8.17 at 55.7 °C, 10.3 at 69.7 °C, 15.8 at 99.1 °C, 27.3 at 118.0 °C, 67.3 at 120.4 °C, 86.1 at 150.4 °C (shake flask-GLC, Price, 1976)
4.10 g/L at 25 °C, 3.46 (air = 1) Vapor pressure (mmHg): 82.8 at 25 °C (Wilhoit and Zwolinski, 1971) Environmental fate: Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. 3,3Dimethylbutane will not hydrolyze because it has no hydrolyzable functional group. Uses: Organic synthesis; gasoline component.
