ABSTRACT
CASRN: 563-45-1; DOT: 2561; DOT label: Combustible liquid; molecular formula: C5H10; FW: 70.13; RTECS: EM7600000 Physical state, color, and odor: Colorless, flammable liquid or gas with a disagreeable odor Melting point (°C): -168.5 (Weast, 1986) Boiling point (°C): 20.06 (Scott and Waddington, 1950) Density (g/cm3): 0.6272 at 20 °C, 0.6219 at 25 °C (Dreisbach, 1959) Diffusivity in water (x 10-5 cm2/sec): 0.83 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: >14 (Schwarzenbach et al., 1993) Flash point (°C): -57 (Hawley, 1981) Lower explosive limit (%): 1.5 (NFPA, 1984) Upper explosive limit (%): 9.1 (NFPA, 1984) Heat of fusion (kcal/mol): 1.281 (Dean, 1987) Henry’s law constant (atm⋅m3/mol): 0.535 at 25 °C (Hine and Mookerjee, 1975) Ionization potential (eV): 9.60 (Collin and Lossing, 1959) 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: 2.30 using method of Hansch et al. (1968)
Soluble in alcohol, benzene, and ether (Weast, 1986) Solubility in water: 130 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966) Vapor density: 2.87 g/L at 25 °C, 2.42 (air = 1) Vapor pressure (mmHg): 525.86 at 10.053 °C, 633.94 at 15.033 °C, 760.00 at 20.061 °C, 906.00 at 25.128 °C, 1,074.6 at 30.245 °C (ebulliometry, Scott and Waddington, 1950) Environmental fate: Photolytic. The following rate constants were reported for the reaction of 3-methyl-1-butene and OH radicals in the atmosphere: 3.0 x 10-11 cm3/molecule⋅sec (Atkinson et al., 1979); 6.07 to 9.01 x 10-11 cm3/molecule⋅sec (Atkinson, 1985); 3.18 x 10-11 cm3/molecule⋅sec (Atkinson, 1990). Chemical/Physical. Complete combustion in air yields carbon dioxide and water. Source: Schauer et al. (1999) reported 3-methyl-1-butene in a diesel-powered medium-duty truck exhaust at an emission rate of 160 µg/km. Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of 3-methyl-1-butene was 6.9 mg/kg of pine burned. Emission rates of 3-methyl-1-butene were not measured during the combustion of oak and eucalyptus. California Phase II reformulated gasoline contained 3-methyl-1-butene at a concentration of 380 mg/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 0.35 and 22.5 mg/km, respectively (Schauer et al., 2002). Uses: In high octane fuels; organic synthesis.
