Try beta.chemspider
3-Anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3
PCCSBWNGDMYFCW-UHFFFAOYSA-N
CSID:184727, http://www.chemspider.com/Chemical-Structure.184727.html (accessed 05:26, Jun 1, 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) = 4.89 Log Kow (Exper. database match) = 4.65 Exper. Ref: Tomlin,C (1997) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 589.09 (Adapted Stein & Brown method) Melting Pt (deg C): 254.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.56E-012 (Modified Grain method) MP (exp database): 141 deg C VP (exp database): 4.80E-09 mm Hg at 20 deg C Subcooled liquid VP: 6.74E-008 mm Hg (20 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.4706 log Kow used: 4.65 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.052 mg/L (20 deg C) Exper. Ref: TOMLIN,C (1997) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.976 mg/L Wat Sol (Exper. database match) = 0.05 Exper. Ref: TOMLIN,C (1997) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.58E-012 atm-m3/mole Group Method: Incomplete Exper Database: 4.55E-08 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.001E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.65 (exp database) Log Kaw used: -5.730 (exp database) Log Koa (KOAWIN v1.10 estimate): 10.380 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7735 Biowin2 (Non-Linear Model) : 0.8600 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1456 (months ) Biowin4 (Primary Survey Model) : 3.2410 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3964 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2994 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): 8.99E-006 Pa (6.74E-008 mm Hg) Log Koa (Koawin est ): 10.380 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.334 Octanol/air (Koa) model: 0.00589 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.923 Mackay model : 0.964 Octanol/air (Koa) model: 0.32 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.7116 E-12 cm3/molecule-sec Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.263 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.944 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.776E+004 Log Koc: 4.577 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 = 2.881 (BCF = 759.5) log Kow used: 4.65 (expkow database) Volatilization from Water: Henry LC: 4.55E-008 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.49E+004 hours (1038 days) Half-Life from Model Lake : 2.718E+005 hours (1.133E+004 days) Removal In Wastewater Treatment: Total removal: 63.62 percent Total biodegradation: 0.58 percent Total sludge adsorption: 63.05 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 0.0826 4.53 1000 Water 10.3 1.44e+003 1000 Soil 75.4 2.88e+003 1000 Sediment 14.3 1.3e+004 0 Persistence Time: 2.09e+003 hr
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