2,2-Dichloro-1,1,1-trifluoroethane
C(C(F)(F)F)(Cl)Cl
InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H
OHMHBGPWCHTMQE-UHFFFAOYSA-N
CSID:9016, http://www.chemspider.com/Chemical-Structure.9016.html (accessed 14:19, Mar 28, 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) = 2.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 44.88 (Adapted Stein & Brown method) Melting Pt (deg C): -99.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 706 (Mean VP of Antoine & Grain methods) MP (exp database): -107 deg C BP (exp database): 27 deg C VP (exp database): 7.18E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 185.7 log Kow used: 2.17 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2100 mg/L (25 deg C) Exper. Ref: HORVATH,AL ET AL. (1999) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 638.49 mg/L Wat Sol (Exper. database match) = 2100.00 Exper. Ref: HORVATH,AL ET AL. (1999) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.55E-002 atm-m3/mole Group Method: 1.14E-002 atm-m3/mole Exper Database: 2.56E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.650E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.17 (KowWin est) Log Kaw used: 0.020 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.150 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0685 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0019 (months ) Biowin4 (Primary Survey Model) : 3.1515 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2608 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6409 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): 9.57E+004 Pa (718 mm Hg) Log Koa (Koawin est ): 2.150 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.13E-011 Octanol/air (Koa) model: 3.47E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.13E-009 Mackay model : 2.51E-009 Octanol/air (Koa) model: 2.77E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0199 E-12 cm3/molecule-sec Half-Life = 537.766 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.82E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 154.4 Log Koc: 2.189 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.633E-003 L/mol-sec Kb Half-Life at pH 8: 13.448 years Kb Half-Life at pH 7: 134.484 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.974 (BCF = 9.415) log Kow used: 2.17 (estimated) Volatilization from Water: Henry LC: 0.0256 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.29 hours Half-Life from Model Lake : 117.8 hours (4.907 days) Removal In Wastewater Treatment: Total removal: 90.90 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.76 percent Total to Air: 90.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 48.7 7.05e+003 1000 Water 47.6 1.44e+003 1000 Soil 3.52 2.88e+003 1000 Sediment 0.235 1.3e+004 0 Persistence Time: 178 hr
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