1,1,2-Trichloroethane
C(C(Cl)Cl)Cl
InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
UBOXGVDOUJQMTN-UHFFFAOYSA-N
CSID:6326, http://www.chemspider.com/Chemical-Structure.6326.html (accessed 17:23, Apr 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.01 Log Kow (Exper. database match) = 1.89 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 127.75 (Adapted Stein & Brown method) Melting Pt (deg C): -62.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 20.6 (Mean VP of Antoine & Grain methods) MP (exp database): -36.6 deg C BP (exp database): 113.8 deg C VP (exp database): 2.30E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2167 log Kow used: 1.89 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 4590 mg/L (25 deg C) Exper. Ref: HORVATH,AL ET AL. (1999) Water Sol (Exper. database match) = 1100 mg/L (25 deg C) Exper. Ref: TALIAN,SF ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2800.6 mg/L Wat Sol (Exper. database match) = 4590.00 Exper. Ref: HORVATH,AL ET AL. (1999) Wat Sol (Exper. database match) = 1100.00 Exper. Ref: TALIAN,SF ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.27E-003 atm-m3/mole Group Method: 1.02E-004 atm-m3/mole Exper Database: 8.24E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.669E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.89 (exp database) Log Kaw used: -1.473 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.363 Log Koa (experimental database): 3.400 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3499 Biowin2 (Non-Linear Model) : 0.0116 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3848 (weeks-months) Biowin4 (Primary Survey Model) : 3.3534 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3173 Biowin6 (MITI Non-Linear Model): 0.0515 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6522 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.07E+003 Pa (23 mm Hg) Log Koa (Exp database): 3.400 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.78E-010 Octanol/air (Koa) model: 6.17E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.53E-008 Mackay model : 7.83E-008 Octanol/air (Koa) model: 4.93E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2286 E-12 cm3/molecule-sec Half-Life = 46.785 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.68E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.7 Log Koc: 1.831 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.876E-002 L/mol-sec Kb Half-Life at pH 8: 1.171 years Kb Half-Life at pH 7: 11.705 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.755 (BCF = 5.692) log Kow used: 1.89 (expkow database) Volatilization from Water: Henry LC: 0.000824 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.999 hours Half-Life from Model Lake : 118.7 hours (4.944 days) Removal In Wastewater Treatment: Total removal: 27.43 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.64 percent Total to Air: 25.72 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 28.8 1.31e+003 1000 Water 37.5 900 1000 Soil 33.7 1.8e+003 1000 Sediment 0.128 8.1e+003 0 Persistence Time: 262 hr
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