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2,2-Difluoroethyl ethyl carbonate
CCOC(=O)OCC(F)F
InChI=1S/C5H8F2O3/c1-2-9-5(8)10-3-4(6)7/h4H,2-3H2,1H3
WXVCMUWGHFXASO-UHFFFAOYSA-N
CSID:13116406, http://www.chemspider.com/Chemical-Structure.13116406.html (accessed 02:17, Jul 8, 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) = 1.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 135.01 (Adapted Stein & Brown method) Melting Pt (deg C): -104.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.98 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9720 log Kow used: 1.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3674.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.33E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.665E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.02 (KowWin est) Log Kaw used: -0.752 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.772 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6742 Biowin2 (Non-Linear Model) : 0.6943 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8586 (weeks ) Biowin4 (Primary Survey Model) : 3.6254 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3370 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6426 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): 981 Pa (7.36 mm Hg) Log Koa (Koawin est ): 1.772 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.06E-009 Octanol/air (Koa) model: 1.45E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.1E-007 Mackay model : 2.45E-007 Octanol/air (Koa) model: 1.16E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.8770 E-12 cm3/molecule-sec Half-Life = 5.698 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 68.380 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.77E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.06 Log Koc: 1.903 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 = 0.088 (BCF = 1.225) log Kow used: 1.02 (estimated) Volatilization from Water: Henry LC: 0.00433 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.435 hours Half-Life from Model Lake : 119.7 hours (4.989 days) Removal In Wastewater Treatment: Total removal: 63.49 percent Total biodegradation: 0.05 percent Total sludge adsorption: 0.84 percent Total to Air: 62.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 42.5 137 1000 Water 51 360 1000 Soil 6.35 720 1000 Sediment 0.103 3.24e+003 0 Persistence Time: 126 hr
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