Try beta.chemspider
Ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
CCOC(=O)C1(C(=O)N(C(=O)O1)c2cc(cc(c2)Cl)Cl)C
InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3
IGUYEXXAGBDLLX-UHFFFAOYSA-N
CSID:46710, http://www.chemspider.com/Chemical-Structure.46710.html (accessed 21:22, May 10, 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) = 2.22 Log Kow (Exper. database match) = 3.15 Exper. Ref: Tomlin,C (1997) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 485.41 (Adapted Stein & Brown method) Melting Pt (deg C): 205.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.78E-009 (Modified Grain method) MP (exp database): 112.6 deg C VP (exp database): 9.70E-08 mm Hg at 25 deg C Subcooled liquid VP: 7.13E-007 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 16.19 log Kow used: 3.15 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 32 mg/L (25 deg C) Exper. Ref: TOMLIN,C (1994) Water Sol (Exper. database match) = 2 mg/L (25 deg C) Exper. Ref: TOMLIN,C (1997) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.6636 mg/L Wat Sol (Exper. database match) = 32.00 Exper. Ref: TOMLIN,C (1994) Wat Sol (Exper. database match) = 2.00 Exper. Ref: TOMLIN,C (1997) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.67E-009 atm-m3/mole Group Method: Incomplete Exper Database: 1.30E-09 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.370E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.15 (exp database) Log Kaw used: -6.062 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.212 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2148 Biowin2 (Non-Linear Model) : 0.0328 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9801 (months ) Biowin4 (Primary Survey Model) : 3.1134 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2226 Biowin6 (MITI Non-Linear Model): 0.0213 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5503 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): 9.51E-005 Pa (7.13E-007 mm Hg) Log Koa (Koawin est ): 9.212 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0316 Octanol/air (Koa) model: 0.0004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.533 Mackay model : 0.716 Octanol/air (Koa) model: 0.031 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3365 E-12 cm3/molecule-sec Half-Life = 1.283 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.396 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.624 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.79 Log Koc: 1.907 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.726 (BCF = 53.15) log Kow used: 3.15 (expkow database) Volatilization from Water: Henry LC: 1.3E-009 atm-m3/mole (Henry experimental database) Half-Life from Model River: 8.208E+005 hours (3.42E+004 days) Half-Life from Model Lake : 8.954E+006 hours (3.731E+005 days) Removal In Wastewater Treatment: Total removal: 7.19 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.05 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 0.0164 30.8 1000 Water 10.2 1.44e+003 1000 Soil 89.4 2.88e+003 1000 Sediment 0.367 1.3e+004 0 Persistence Time: 2.69e+003 hr
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