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Propyl chloroacetate
CCCOC(=O)CCl
InChI=1S/C5H9ClO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3
QJZNRCWAXUGABH-UHFFFAOYSA-N
CSID:71697, http://www.chemspider.com/Chemical-Structure.71697.html (accessed 11:17, Apr 30, 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) = 1.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 163.18 (Adapted Stein & Brown method) Melting Pt (deg C): -36.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.4 (Mean VP of Antoine & Grain methods) BP (exp database): 161 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3654 log Kow used: 1.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5505.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-004 atm-m3/mole Group Method: 6.74E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.180E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.61 (KowWin est) Log Kaw used: -2.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.961 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7453 Biowin2 (Non-Linear Model) : 0.9643 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8644 (weeks ) Biowin4 (Primary Survey Model) : 3.7790 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7993 Biowin6 (MITI Non-Linear Model): 0.8452 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9917 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): 291 Pa (2.18 mm Hg) Log Koa (Koawin est ): 3.961 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E-008 Octanol/air (Koa) model: 2.24E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.73E-007 Mackay model : 8.26E-007 Octanol/air (Koa) model: 1.8E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.5749 E-12 cm3/molecule-sec Half-Life = 4.154 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 49.846 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.99E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 21.85 Log Koc: 1.339 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.511E+000 L/mol-sec Kb Half-Life at pH 8: 1.068 days Kb Half-Life at pH 7: 10.680 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.539 (BCF = 3.461) log Kow used: 1.61 (estimated) Volatilization from Water: Henry LC: 6.74E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 11.34 hours Half-Life from Model Lake : 221.8 hours (9.24 days) Removal In Wastewater Treatment: Total removal: 5.38 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 percent Total to Air: 3.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.32 99.7 1000 Water 35.4 360 1000 Soil 56.1 720 1000 Sediment 0.0898 3.24e+003 0 Persistence Time: 335 hr
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