1,1-Dichloro-1-fluoroethane
CC(F)(Cl)Cl
InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3
FRCHKSNAZZFGCA-UHFFFAOYSA-N
CSID:14829, http://www.chemspider.com/Chemical-Structure.14829.html (accessed 11:28, Mar 29, 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) = 2.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 26.95 (Adapted Stein & Brown method) Melting Pt (deg C): -97.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 585 (Mean VP of Antoine & Grain methods) MP (exp database): -103.5 deg C BP (exp database): 32 deg C VP (exp database): 6.00E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 982 log Kow used: 2.37 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 420 mg/L (25 deg C) Exper. Ref: HORVATH,AL ET AL. (1999) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1629 mg/L Wat Sol (Exper. database match) = 420.00 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 : 2.41E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.167E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.37 (KowWin est) Log Kaw used: -0.006 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.376 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2852 Biowin2 (Non-Linear Model) : 0.0166 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3822 (weeks-months) Biowin4 (Primary Survey Model) : 3.3243 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4518 Biowin6 (MITI Non-Linear Model): 0.0033 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3930 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): 8E+004 Pa (600 mm Hg) Log Koa (Koawin est ): 2.376 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.75E-011 Octanol/air (Koa) model: 5.83E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.35E-009 Mackay model : 3E-009 Octanol/air (Koa) model: 4.67E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0060 E-12 cm3/molecule-sec Half-Life = 1787.431 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.18E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.434E-009 L/mol-sec Kb Half-Life at pH 8: 2.954E+006 years Kb Half-Life at pH 7: 2.954E+007 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.122 (BCF = 13.24) log Kow used: 2.37 (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: 90.40 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.98 percent Total to Air: 89.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 49.1 4.35e+004 1000 Water 45.2 900 1000 Soil 5.41 1.8e+003 1000 Sediment 0.295 8.1e+003 0 Persistence Time: 174 hr
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