Dichloro(fluoro)methane
C(F)(Cl)Cl
InChI=1S/CHCl2F/c2-1(3)4/h1H
UMNKXPULIDJLSU-UHFFFAOYSA-N
CSID:6130, http://www.chemspider.com/Chemical-Structure.6130.html (accessed 02:05, 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) = 1.21 Log Kow (Exper. database match) = 1.55 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 39.75 (Adapted Stein & Brown method) Melting Pt (deg C): -108.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.36E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -135 deg C BP (exp database): 8.9 deg C VP (exp database): 1.36E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5439 log Kow used: 1.55 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.88e+004 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10019 mg/L Wat Sol (Exper. database match) = 18800.00 Exper. Ref: HORVATH,AL (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.82E-002 atm-m3/mole Group Method: Incomplete Exper Database: 1.08E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.892E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.55 (exp database) Log Kaw used: -0.355 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.905 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4758 Biowin2 (Non-Linear Model) : 0.1035 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6254 (weeks-months) Biowin4 (Primary Survey Model) : 3.4980 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3748 Biowin6 (MITI Non-Linear Model): 0.0030 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): 1.81E+005 Pa (1.36E+003 mm Hg) Log Koa (Koawin est ): 1.905 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.65E-011 Octanol/air (Koa) model: 1.97E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.98E-010 Mackay model : 1.32E-009 Octanol/air (Koa) model: 1.58E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0263 E-12 cm3/molecule-sec Half-Life = 406.185 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.61E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.803E-002 L/mol-sec Kb Half-Life at pH 8: 1.218 years Kb Half-Life at pH 7: 12.183 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.493 (BCF = 3.115) log Kow used: 1.55 (expkow database) Volatilization from Water: Henry LC: 0.0108 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.09 hours Half-Life from Model Lake : 96.96 hours (4.04 days) Removal In Wastewater Treatment: Total removal: 80.93 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.63 percent Total to Air: 80.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 49.8 8.47e+003 1000 Water 46.8 900 1000 Soil 3.25 1.8e+003 1000 Sediment 0.122 8.1e+003 0 Persistence Time: 170 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.21 Log Kow (Exper. database match) = 1.55 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 39.75 (Adapted Stein & Brown method) Melting Pt (deg C): -108.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.36E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -135 deg C BP (exp database): 8.9 deg C VP (exp database): 1.36E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5439 log Kow used: 1.55 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.88e+004 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10019 mg/L Wat Sol (Exper. database match) = 18800.00 Exper. Ref: HORVATH,AL (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.82E-002 atm-m3/mole Group Method: Incomplete Exper Database: 1.08E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.892E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.55 (exp database) Log Kaw used: -0.355 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.905 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4758 Biowin2 (Non-Linear Model) : 0.1035 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6254 (weeks-months) Biowin4 (Primary Survey Model) : 3.4980 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3748 Biowin6 (MITI Non-Linear Model): 0.0030 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): 1.81E+005 Pa (1.36E+003 mm Hg) Log Koa (Koawin est ): 1.905 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.65E-011 Octanol/air (Koa) model: 1.97E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.98E-010 Mackay model : 1.32E-009 Octanol/air (Koa) model: 1.58E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0263 E-12 cm3/molecule-sec Half-Life = 406.185 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.61E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.803E-002 L/mol-sec Kb Half-Life at pH 8: 1.218 years Kb Half-Life at pH 7: 12.183 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.493 (BCF = 3.115) log Kow used: 1.55 (expkow database) Volatilization from Water: Henry LC: 0.0108 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.09 hours Half-Life from Model Lake : 96.96 hours (4.04 days) Removal In Wastewater Treatment: Total removal: 80.93 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.63 percent Total to Air: 80.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 49.8 8.47e+003 1000 Water 46.8 900 1000 Soil 3.25 1.8e+003 1000 Sediment 0.122 8.1e+003 0 Persistence Time: 170 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight