1,1,2-TRICHLOROETHANE

CASRN: 79-00-5; DOT: 2831; molecular formula: C2H3Cl3; FW: 133.40; RTECS: KJ3150000; Merck Index: 12, 9767 Physical state, color, and odor: Colorless liquid with a pleasant, sweet, chloroform-like odor Melting point (°C): -36.5 (Weast, 1986) -37.0 (quoted, Standen, 1964) Boiling point (°C): 113.8 (Weast, 1986) 111-114 (Fluka, 1988) Density (g/cm3 at 20 °C): 1.4397 (Weast, 1986) 1.434 (Fluka, 1988) 1.4410 (quoted, Standen, 1964) Diffusivity in water (x 10-5 cm2/sec): 0.92 at 20 °C using method of Hayduk and Laudie (1974) Flash point (°C): None (Dean, 1973) Lower explosive limit (%): 6 (NIOSH, 1997) Upper explosive limit (%): 15.5 (NIOSH, 1997) Entropy of fusion (cal/mol⋅K): 10.9 (Golovanova and Kolesov, 1984) 11.5 (Crowe and Smyth, 1950) Heat of fusion (kcal/mol): 2.6003 (Golovanova and Kolesov, 1984) 2.7198 (Crowe and Smyth, 1950) Henry’s law constant (x 10-4 atm⋅m3/mol): 1.35 at 20 °C (batch equilibrium, Gan and Dupont, 1989) 7.4 (Pankow and Rosen, 1988) 6.64 at 20.0 °C, 13.4 at 35.0 °C, 23.1 at 50.0 °C (equilibrium static cell, Wright et al., 1992) 14.9 at 37 °C (Sato and Nakajima, 1979)

7, 11, and 17 at 20, 30, and 40 °C, respectively (Tse et al., 1992) 8.09, 18.2, and 25.3 at 26.2, 35.0, and 44.8 °C, respectively (variable headspace method, Hansen

et al., 1993, 1995) 6.60 at 20.00 °C (inert gas stripping, Hovorka and Dohnal, 1997) 8.29 at 25.0 °C (mole fraction ratio-GC, Leighton and Calo, 1981) 2.49, 3.21, 4.18, 6.45, and 9.07 at 2.0, 6.0, 10.0, 18.0, and 25.0 °C, respectively (EPICS-SPME,

Dewulf et al., 1999) 8.70 at 30 °C (headspace-GC, Sanz et al., 1997) Interfacial tension with water (dyn/cm at 25 °C): 27.1 (Murphy et al., 1957) 29.6 (Demond and Lindner, 1993) Ionization potential (eV): 11.00 (NIOSH, 1997) Soil organic carbon/water partition coefficient, log Koc: 1.78, 2.03 (forest soil), 1.80 (agricultural soil) (Seip et al., 1986) 1.88 (Lincoln sand, Wilson et al., 1981) Octanol/water partition coefficient, log Kow: 1.98, 1.93, and 1.94 at 25, 35, and 50 °C, respectively (GLC, Bhatia and Sandler, 1995) Solubility in organics: Soluble in ethanol and chloroform (U.S. EPA, 1985) Solubility in water: 4,400 mg/kg at 25 °C (McGovern, 1943) 3,704 mg/L at 25 °C (Van Arkel and Vles, 1936) 4,500 mg/L at 19.6 °C (Gladis, 1960) 0.45 wt % at 20 °C (Konietzko, 1984) 4,365.3 mg/L at 30 °C (vapor equilibrium-GC, McNally and Grob, 1984) In wt %: 0.464 at 0 °C, 0.439 at 9.2 °C, 0.458 at 31.3 °C, 0.483 at 41.0 °C, 0.518 at 50.6 °C, 0.497

at 60.5 °C, 0.555 at 71.0 °C, 0.658 at 81.7 °C, 0.703 at 90.8 °C (shake flask-GC, Stephenson, 1992)

In mg/kg: 4,659 at 10 °C, 4,527 at 20 °C, 4,177 at 30 °C (shake flask-GC, Howe et al., 1987) Vapor density: 5.45 g/L at 25 °C, 4.60 (air = 1); 4 kg/m3 at the boiling point (Konietzko, 1984) Vapor pressure (mmHg): 19 at 20 °C, 32 at 30 °C (quoted, Verschueren, 1983) 30.3 at 25 °C (quoted, Mackay et al., 1982) Environmental fate: Biological. Vinyl chloride was reported to be a biodegradation product from an anaerobic digester at a wastewater treatment facility (Howard, 1990). Under aerobic conditions, Pseudomonas putida oxidized 1,1,2-trichloroethane to chloroacetic and glyoxylic acids. Simultaneously, 1,1,2-trichloroethane is reduced to vinyl chloride exclusively (Castro and Belser,

dark at 25 °C with yeast extract and settled domestic wastewater inoculum. Biodegradative activity was slow to moderate, concomitant with a significant rate of volatilization (Tabak et al., 1981). Chemical/Physical. Products of hydrolysis include chloroacetaldehyde, 1,1-dichloroethylene, and HCl. The aldehyde is subject to hydrolysis forming hydroxyacetaldehyde and HCl (Kollig, 1993). The reported half-life for this reaction at 20 °C is 170 yr (Vogel et al., 1987). Under alkaline conditions, 1,1,2-trichloroethane hydrolyzed to 1,2-dichloroethylene. The reported hydrolysis half-life in water at 25 °C and pH 7 is 139.2 yr (Sata and Nakajima, 1979). 1,1,2-Trichloroethane (0.22 mM) reacted with OH radicals in water (pH 2.8) at a rate of 1.3 x 108/M⋅sec (Haag and Yao, 1992). The volatilization half-life of 1,1,2-trichloroethane (1 mg/L) from water at 25 °C using a shallow-pitch propeller stirrer at 200 rpm at an average depth of 6.5 cm was 35.1 min (Dilling, 1977). At influent concentrations of 1.0, 0.1, 0.01, and 0.001 mg/L, the GAC adsorption capacities were 5.8, 1.4, 0.36, and 0.09 mg/kg, respectively (Dobbs and Cohen, 1980). Exposure limits: Potential occupational carcinogen. NIOSH REL: TWA 10 ppm (45 mg/m3), IDLH 100 ppm; OSHA PEL: TWA 10 ppm (adopted). Symptoms of exposure: Irritant to eyes and mucous membranes. Ingestion may cause somnolence, nausea, vomiting, ulceration, hepatitis, and necrosis (Patnaik, 1992). Toxicity: EC50 (48-h) for Pseudokirchneriella subcapitata 129.3 mg/L (Hsieh et al., 2006). LC50 (contact) for earthworm (Eisenia fetida) 42 µg/cm2 (Neuhauser et al., 1985). LC50 (7-d) for juvenile guppy 70 mg/L, adult guppy 75 mg/L (Spehar et al., 1982), Poecilia reticulata 94 mg/L (Könemann, 1981). LC50 (96-h) for fathead minnows 81.7 mg/L (Veith et al., 1983), bluegill sunfish 40 mg/L (Spehar et al., 1982). LC50 (48-h) for Daphnia magna 18 mg/L (LeBlanc, 1980). LC50 (24-h) for Daphnia magna 140 mg/L, juvenile guppy 72 mg/L, adult guppy 85 mg/L (Spehar et al., 1982), Daphnia magna 19 mg/L (LeBlanc, 1980). Acute oral LD50 for mice 378 mg/kg, rats 580 mg/kg (quoted, RTECS, 1985). Drinking water standard (final): MCLG: 3 µg/L; MCL: 5 µg/L. In addition, a DWEL of 100 µg/L was recommended (U.S. EPA, 2000). Uses: Solvent for fats, oils, resins, waxes, and other products; organic synthesis.