ABSTRACT
CASRN: 291-64-5; DOT: 2241; molecular formula: C7H14; FW: 98.19; RTECS: GU3140000 Physical state, color, and odor: Clear, oily, flammable liquid with a faint odor resembling cyclohexane, cyclooctane, or gasoline. Melting point (°C): -12 (Weast, 1986) Boiling point (°C): 118.5 (Weast, 1986) Density (g/cm3): 0.8098 at 20 °C (Weast, 1986) Diffusivity in water (x 10-5 cm2/sec): 0.79 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: >14 (Schwarzenbach et al., 1993) Flash point (°C): 6 (Aldrich, 1990) Lower explosive limit (%): 1.1 (NFPA, 1984) Upper explosive limit (%): 6.7 (NFPA, 1984) Heat of fusion (kcal/mol): 0.450 (Dean, 1987) Henry’s law constant (x 10-2 atm⋅m3/mol): 9.35 (approximate - calculated from water solubility and vapor pressure) Ionization potential (eV): 9.9 (Lias, 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: 4.00 (shake flask, Hansch et al., 1995)
Soluble in alcohol, benzene, chloroform, ether, and ligroin (Weast, 1986) Solubility in water: 30 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966) 27.1 mg/L at 30 °C, 17.0 mg/L in artificial seawater (34.5 parts NaCl per 1,000 parts water) at 30
°C (Groves, 1988) Vapor density: 4.01 g/L at 25 °C, 3.39 (air = 1) Vapor pressure (mmHg): 21.7 (extrapolated, Boublik et al., 1986) Environmental fate: Biological. Cycloheptane may be oxidized by microbes to cycloheptanol, which may oxidize to give cycloheptanone (Dugan, 1972). Photolytic. The following rate constants were reported for the reaction of cycloheptane and OH radicals in the atmosphere: 1.31 x 10-12 cm3/molecule⋅sec at 298 K (Atkinson, 1985) and 1.25 x 10-11 cm3/molecule⋅sec (Atkinson, 1990). Chemical/Physical. Cycloheptane will not hydrolyze because it has no hydrolyzable functional group. Uses: Organic synthesis; gasoline component.
