1,2-Dichloro-1,1,2,2-tetrafluoroethane
C(C(F)(F)Cl)(F)(F)Cl
InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8
DDMOUSALMHHKOS-UHFFFAOYSA-N
CSID:13853215, http://www.chemspider.com/Chemical-Structure.13853215.html (accessed 23:57, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.78 Log Kow (Exper. database match) = 2.82 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 7.93 (Adapted Stein & Brown method) Melting Pt (deg C): -101.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.63E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -94 deg C BP (exp database): 3.8 deg C VP (exp database): 2.01E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 43.07 log Kow used: 2.82 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 130 mg/L (25 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 148.71 mg/L Wat Sol (Exper. database match) = 130.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.51E+000 atm-m3/mole Group Method: Incomplete Exper Database: 2.80E+00 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.968E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.82 (exp database) Log Kaw used: 2.059 (exp database) Log Koa (KOAWIN v1.10 estimate): 0.761 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0755 Biowin2 (Non-Linear Model) : 0.0014 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0509 (months ) Biowin4 (Primary Survey Model) : 3.0930 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4106 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1383 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): 2.68E+005 Pa (2.01E+003 mm Hg) Log Koa (Koawin est ): 0.761 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.12E-011 Octanol/air (Koa) model: 1.42E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.04E-010 Mackay model : 8.96E-010 Octanol/air (Koa) model: 1.13E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.5E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 224.7 Log Koc: 2.352 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.471 (BCF = 29.61) log Kow used: 2.82 (expkow database) Volatilization from Water: Henry LC: 2.8 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.334 hours Half-Life from Model Lake : 124.2 hours (5.174 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.91 percent Total biodegradation: 0.02 percent Total sludge adsorption: 1.77 percent Total to Air: 98.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.4 1e+005 1000 Water 48.3 1.44e+003 1000 Soil 0.502 2.88e+003 1000 Sediment 0.8 1.3e+004 0 Persistence Time: 173 hr
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