Try beta.chemspider
1-Chloroethyl acetate
CC(OC(=O)C)Cl
InChI=1S/C4H7ClO2/c1-3(5)7-4(2)6/h3H,1-2H3
CGKKDGMMKSOGLM-UHFFFAOYSA-N
CSID:455227, http://www.chemspider.com/Chemical-Structure.455227.html (accessed 14:25, Jun 16, 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) = 1.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 114.86 (Adapted Stein & Brown method) Melting Pt (deg C): -63.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.259e+004 log Kow used: 1.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28512 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.20E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.510E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.04 (KowWin est) Log Kaw used: -2.475 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.515 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7520 Biowin2 (Non-Linear Model) : 0.9705 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8954 (weeks ) Biowin4 (Primary Survey Model) : 3.7993 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6425 Biowin6 (MITI Non-Linear Model): 0.6756 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6683 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.45E+003 Pa (18.4 mm Hg) Log Koa (Koawin est ): 3.515 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.22E-009 Octanol/air (Koa) model: 8.04E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.42E-008 Mackay model : 9.78E-008 Octanol/air (Koa) model: 6.43E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.2706 E-12 cm3/molecule-sec Half-Life = 8.418 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 101.014 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.1E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.479 Log Koc: 0.977 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.640E+001 L/mol-sec Kb Half-Life at pH 8: 11.741 hours Kb Half-Life at pH 7: 4.892 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.104 (BCF = 1.272) log Kow used: 1.04 (estimated) Volatilization from Water: Henry LC: 8.2E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.034 hours Half-Life from Model Lake : 191.4 hours (7.974 days) Removal In Wastewater Treatment: Total removal: 5.92 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.73 percent Total to Air: 4.10 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 13.2 202 1000 Water 41.2 360 1000 Soil 45.5 720 1000 Sediment 0.0833 3.24e+003 0 Persistence Time: 293 hr
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