Try beta.chemspider
Cyclopropylmethyl dichloroacetate
C1CC1COC(=O)C(Cl)Cl
InChI=1S/C6H8Cl2O2/c7-5(8)6(9)10-3-4-1-2-4/h4-5H,1-3H2
GWQOWCGFHRDKQA-UHFFFAOYSA-N
CSID:231600, http://www.chemspider.com/Chemical-Structure.231600.html (accessed 11:26, Jun 12, 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) = 2.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 207.43 (Adapted Stein & Brown method) Melting Pt (deg C): -1.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.248 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 864.8 log Kow used: 2.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1808.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.24E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.907E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.09 (KowWin est) Log Kaw used: -3.038 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.128 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6118 Biowin2 (Non-Linear Model) : 0.6864 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5885 (weeks-months) Biowin4 (Primary Survey Model) : 3.6114 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5642 Biowin6 (MITI Non-Linear Model): 0.2855 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6382 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): 30.4 Pa (0.228 mm Hg) Log Koa (Koawin est ): 5.128 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.87E-008 Octanol/air (Koa) model: 3.3E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.56E-006 Mackay model : 7.89E-006 Octanol/air (Koa) model: 2.64E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.1346 E-12 cm3/molecule-sec Half-Life = 9.427 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 113.123 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.73E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 64.99 Log Koc: 1.813 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.075E+002 L/mol-sec Kb Half-Life at pH 8: 37.562 minutes Kb Half-Life at pH 7: 6.260 hours Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.913 (BCF = 8.187) log Kow used: 2.10 (estimated) Volatilization from Water: Henry LC: 2.24E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 36.74 hours (1.531 days) Half-Life from Model Lake : 514.3 hours (21.43 days) Removal In Wastewater Treatment: Total removal: 3.53 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.22 percent Total to Air: 1.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.04 226 1000 Water 28.3 900 1000 Soil 67.5 1.8e+003 1000 Sediment 0.122 8.1e+003 0 Persistence Time: 776 hr
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