Try beta.chemspider
2-Chlorobenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate
CC1(C(C1(C)C)C(=O)OCc2ccccc2Cl)C
InChI=1S/C15H19ClO2/c1-14(2)12(15(14,3)4)13(17)18-9-10-7-5-6-8-11(10)16/h5-8,12H,9H2,1-4H3
TXEUXOOJEFSEDT-UHFFFAOYSA-N
CSID:492375, http://www.chemspider.com/Chemical-Structure.492375.html (accessed 10:51, May 4, 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) = 5.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.45 (Adapted Stein & Brown method) Melting Pt (deg C): 91.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000184 (Modified Grain method) Subcooled liquid VP: 0.000811 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.6091 log Kow used: 5.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.68329 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.53E-005 atm-m3/mole Group Method: 2.62E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.060E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.26 (KowWin est) Log Kaw used: -2.985 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.245 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2444 Biowin2 (Non-Linear Model) : 0.1032 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1190 (months ) Biowin4 (Primary Survey Model) : 3.2196 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3949 Biowin6 (MITI Non-Linear Model): 0.1363 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7307 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): 0.108 Pa (0.000811 mm Hg) Log Koa (Koawin est ): 8.245 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.77E-005 Octanol/air (Koa) model: 4.32E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.001 Mackay model : 0.00221 Octanol/air (Koa) model: 0.00344 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.8528 E-12 cm3/molecule-sec Half-Life = 2.776 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 33.314 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00161 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5225 Log Koc: 3.718 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.021E-002 L/mol-sec Kb Half-Life at pH 8: 199.518 days Kb Half-Life at pH 7: 5.463 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.703 (BCF = 50.49) log Kow used: 5.26 (estimated) Volatilization from Water: Henry LC: 2.62E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 366.7 hours (15.28 days) Half-Life from Model Lake : 4137 hours (172.4 days) Removal In Wastewater Treatment: Total removal: 84.40 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.66 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.591 66.6 1000 Water 6.95 1.44e+003 1000 Soil 55.6 2.88e+003 1000 Sediment 36.9 1.3e+004 0 Persistence Time: 2.6e+003 hr
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