1,1-Dichloro-2-fluoroethane
C(C(Cl)Cl)F
InChI=1S/C2H3Cl2F/c3-2(4)1-5/h2H,1H2
RGZHHTKDHXSAQQ-UHFFFAOYSA-N
CSID:61253, http://www.chemspider.com/Chemical-Structure.61253.html (accessed 00:16, Apr 20, 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) = 1.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 65.49 (Adapted Stein & Brown method) Melting Pt (deg C): -95.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 158 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3646 log Kow used: 1.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3305.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.41E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.668E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (KowWin est) Log Kaw used: -0.006 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.706 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4691 Biowin2 (Non-Linear Model) : 0.0865 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5944 (weeks-months) Biowin4 (Primary Survey Model) : 3.4778 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3825 Biowin6 (MITI Non-Linear Model): 0.0031 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6669 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): 2.07E+004 Pa (155 mm Hg) Log Koa (Koawin est ): 1.706 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.45E-010 Octanol/air (Koa) model: 1.25E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.24E-009 Mackay model : 1.16E-008 Octanol/air (Koa) model: 9.98E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2025 E-12 cm3/molecule-sec Half-Life = 52.822 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.43E-009 (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 : 2.380E-004 L/mol-sec Kb Half-Life at pH 8: 92.287 years Kb Half-Life at pH 7: 922.872 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.608 (BCF = 4.056) log Kow used: 1.70 (estimated) Volatilization from Water: Henry LC: 0.0241 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.13 hours Half-Life from Model Lake : 103 hours (4.292 days) Removal In Wastewater Treatment: Total removal: 90.38 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.52 percent Total to Air: 89.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 49.7 1.27e+003 1000 Water 48.1 900 1000 Soil 2.05 1.8e+003 1000 Sediment 0.139 8.1e+003 0 Persistence Time: 164 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 65.49 (Adapted Stein & Brown method) Melting Pt (deg C): -95.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 158 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3646 log Kow used: 1.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3305.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.41E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.668E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (KowWin est) Log Kaw used: -0.006 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.706 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4691 Biowin2 (Non-Linear Model) : 0.0865 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5944 (weeks-months) Biowin4 (Primary Survey Model) : 3.4778 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3825 Biowin6 (MITI Non-Linear Model): 0.0031 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6669 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): 2.07E+004 Pa (155 mm Hg) Log Koa (Koawin est ): 1.706 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.45E-010 Octanol/air (Koa) model: 1.25E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.24E-009 Mackay model : 1.16E-008 Octanol/air (Koa) model: 9.98E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2025 E-12 cm3/molecule-sec Half-Life = 52.822 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.43E-009 (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 : 2.380E-004 L/mol-sec Kb Half-Life at pH 8: 92.287 years Kb Half-Life at pH 7: 922.872 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.608 (BCF = 4.056) log Kow used: 1.70 (estimated) Volatilization from Water: Henry LC: 0.0241 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.13 hours Half-Life from Model Lake : 103 hours (4.292 days) Removal In Wastewater Treatment: Total removal: 90.38 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.52 percent Total to Air: 89.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 49.7 1.27e+003 1000 Water 48.1 900 1000 Soil 2.05 1.8e+003 1000 Sediment 0.139 8.1e+003 0 Persistence Time: 164 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 65.49 (Adapted Stein & Brown method) Melting Pt (deg C): -95.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 158 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3646 log Kow used: 1.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3305.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.41E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.668E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (KowWin est) Log Kaw used: -0.006 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.706 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4691 Biowin2 (Non-Linear Model) : 0.0865 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5944 (weeks-months) Biowin4 (Primary Survey Model) : 3.4778 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3825 Biowin6 (MITI Non-Linear Model): 0.0031 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6669 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): 2.07E+004 Pa (155 mm Hg) Log Koa (Koawin est ): 1.706 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.45E-010 Octanol/air (Koa) model: 1.25E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.24E-009 Mackay model : 1.16E-008 Octanol/air (Koa) model: 9.98E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2025 E-12 cm3/molecule-sec Half-Life = 52.822 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.43E-009 (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 : 2.380E-004 L/mol-sec Kb Half-Life at pH 8: 92.287 years Kb Half-Life at pH 7: 922.872 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.608 (BCF = 4.056) log Kow used: 1.70 (estimated) Volatilization from Water: Henry LC: 0.0241 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.13 hours Half-Life from Model Lake : 103 hours (4.292 days) Removal In Wastewater Treatment: Total removal: 90.38 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.52 percent Total to Air: 89.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 49.7 1.27e+003 1000 Water 48.1 900 1000 Soil 2.05 1.8e+003 1000 Sediment 0.139 8.1e+003 0 Persistence Time: 164 hr
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