ABSTRACT
CASRN: 98-06-6; DOT: 2709; molecular formula: C10H14; FW: 134.22; RTECS: CY9120000; Merck Index: 12, 1586 Physical state and color: Colorless liquid Melting point (°C): -57.8 (Weast, 1986) Boiling point (°C): 169.15 (Wilhoit and Zwolinski, 1971) Density (g/cm3): 0.8665 at 20 °C (Weast, 1986) 0.82617 at 25.00 °C (Resa et al., 2002) Diffusivity in water (x 10-5 cm2/sec): 0.68 at 20 °C using method of Hayduk and Laudie (1974) Dissociation constant, pKa: >14 (Schwarzenbach et al., 1993) Flash point (°C): 60 (open cup, Windholz et al., 1983) 44 (Acros Organics, 2002) Lower explosive limit (%): 0.7 at 100 °C (Sax and Lewis, 1987) Upper explosive limit (%): 5.7 at 100 °C (Sax and Lewis, 1987) Henry’s law constant (x 10-2 atm⋅m3/mol): 1.17 at 25 °C (Hine and Mookerjee, 1975) Ionization potential (eV): 8.68 ± 0.01 (Franklin et al., 1969) Soil organic carbon/water partition coefficient, log Koc: 2.83 using method of Kenaga and Goring (1980)
ow 4.11 (quoted, Leo et al., 1971) 4.07 (shake flask-HPLC, Nahum and Horvath, 1980) Solubility in organics: Soluble in acetone (Weast, 1986) but miscible with alcohol, benzene, and ether (Windholz et al., 1983) Solubility in water (25 °C): 29.5 mg/L in distilled water, 21.2 mg/kg in seawater (shake flask-GC, Sutton and Calder, 1975) 34 mg/L solution (shake flask-UV spectrophotometry, Andrews and Keefer, 1950a) 134 µmol/L in 0.5 M NaCl (Wasik et al., 1984) Vapor density: 5.49 g/L at 25 °C, 4.63 (air = 1) Vapor pressure (mmHg): 1.5 at 20 °C (quoted, Verschueren, 1983) 2.25 at 25.00 °C (Růžička et al., 1994) Environmental fate: Photolytic. At 25 °C, a rate constant of 4.58 x 10-12 cm3/molecule⋅sec was reported for the gasphase reaction of tert-butylbenzene with OH radicals (Ohta and Ohyama, 1985). Chemical/Physical. tert-Butylbenzene will not hydrolyze because it has no hydrolyzable functional group (Kollig, 1995). Drinking water standard: No MCLGs or MCLs have been proposed (U.S. EPA, 1996). Uses: Polymerization solvent; polymer linking agent; organic synthesis.
