- Charge
2-Phenyl-2-oxiranecarboxylate
c1ccc(cc1)C2(CO2)C(=O)[O-]
InChI=1S/C9H8O3/c10-8(11)9(6-12-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)/p-1
KJOJTPANXQIYQH-UHFFFAOYSA-M
CSID:10808589, http://www.chemspider.com/Chemical-Structure.10808589.html (accessed 13:41, Mar 29, 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) = 1.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 296.70 (Adapted Stein & Brown method) Melting Pt (deg C): 88.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000576 (Modified Grain method) Subcooled liquid VP: 0.00232 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): 7633 log Kow used: 1.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 62002 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.11E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.630E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.56 (KowWin est) Log Kaw used: -7.680 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.240 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3389 Biowin2 (Non-Linear Model) : 0.1158 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0022 (weeks ) Biowin4 (Primary Survey Model) : 3.8382 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5348 Biowin6 (MITI Non-Linear Model): 0.5125 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0524 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): 0.309 Pa (0.00232 mm Hg) Log Koa (Koawin est ): 9.240 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.7E-006 Octanol/air (Koa) model: 0.000427 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00035 Mackay model : 0.000775 Octanol/air (Koa) model: 0.033 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.2146 E-12 cm3/molecule-sec Half-Life = 2.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.614 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000563 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 5.605E-005 L/mol-sec Ka Half-Life at pH 7: 3918.246 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 1.56 (estimated) Volatilization from Water: Henry LC: 5.11E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.468E+006 hours (6.117E+004 days) Half-Life from Model Lake : 1.601E+007 hours (6.673E+005 days) Removal In Wastewater Treatment: Total removal: 1.99 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0106 49.2 1000 Water 28.4 360 1000 Soil 71.6 720 1000 Sediment 0.0697 3.24e+003 0 Persistence Time: 657 hr
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