1,1,2-Trifluoroethane
C(C(F)F)F
InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2
WGZYQOSEVSXDNI-UHFFFAOYSA-N
CSID:9506, http://www.chemspider.com/Chemical-Structure.9506.html (accessed 00:21, 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) = 1.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -44.91 (Adapted Stein & Brown method) Melting Pt (deg C): -156.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.51E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -84 deg C BP (exp database): 5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2825 log Kow used: 1.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4306.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.70E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.975E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.07 (KowWin est) Log Kaw used: 1.498 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.428 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7075 Biowin2 (Non-Linear Model) : 0.8600 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0135 (weeks ) Biowin4 (Primary Survey Model) : 3.7265 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5130 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6962 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2E+005 Pa (1.5E+003 mm Hg) Log Koa (Koawin est ): -0.428 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.5E-011 Octanol/air (Koa) model: 9.16E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.42E-010 Mackay model : 1.2E-009 Octanol/air (Koa) model: 7.33E-012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0219 E-12 cm3/molecule-sec Half-Life = 489.071 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.71E-010 (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 : 9.253E-005 L/mol-sec Kb Half-Life at pH 8: 237.362 years Kb Half-Life at pH 7: 2373.623 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.126 (BCF = 1.335) log Kow used: 1.07 (estimated) Volatilization from Water: Henry LC: 0.77 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9362 hours (56.17 min) Half-Life from Model Lake : 87.08 hours (3.628 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.67 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.28 percent Total to Air: 99.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.7 1.4e+004 1000 Water 42.7 360 1000 Soil 0.497 720 1000 Sediment 0.0869 3.24e+003 0 Persistence Time: 144 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -44.91 (Adapted Stein & Brown method) Melting Pt (deg C): -156.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.51E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -84 deg C BP (exp database): 5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2825 log Kow used: 1.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4306.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.70E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.975E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.07 (KowWin est) Log Kaw used: 1.498 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.428 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7075 Biowin2 (Non-Linear Model) : 0.8600 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0135 (weeks ) Biowin4 (Primary Survey Model) : 3.7265 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5130 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6962 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2E+005 Pa (1.5E+003 mm Hg) Log Koa (Koawin est ): -0.428 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.5E-011 Octanol/air (Koa) model: 9.16E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.42E-010 Mackay model : 1.2E-009 Octanol/air (Koa) model: 7.33E-012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0219 E-12 cm3/molecule-sec Half-Life = 489.071 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.71E-010 (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 : 9.253E-005 L/mol-sec Kb Half-Life at pH 8: 237.362 years Kb Half-Life at pH 7: 2373.623 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.126 (BCF = 1.335) log Kow used: 1.07 (estimated) Volatilization from Water: Henry LC: 0.77 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9362 hours (56.17 min) Half-Life from Model Lake : 87.08 hours (3.628 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.67 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.28 percent Total to Air: 99.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.7 1.4e+004 1000 Water 42.7 360 1000 Soil 0.497 720 1000 Sediment 0.0869 3.24e+003 0 Persistence Time: 144 hr
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