Try beta.chemspider
2-(3,4-Dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione
Cn1c(=O)n(oc1=O)c2ccc(c(c2)Cl)Cl
InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3
LRUUNMYPIBZBQH-UHFFFAOYSA-N
CSID:4528, http://www.chemspider.com/Chemical-Structure.4528.html (accessed 05:10, 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) = 3.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.17 (Adapted Stein & Brown method) Melting Pt (deg C): 170.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.84E-007 (Modified Grain method) MP (exp database): 123 deg C VP (exp database): 1.00E-06 mm Hg at 25 deg C Subcooled liquid VP: 9.32E-006 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): 36.72 log Kow used: 3.22 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.5 mg/L (25 deg C) Exper. Ref: WAUCHOPE,RD ET AL. (1991A) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 72.781 mg/L Wat Sol (Exper. database match) = 1.50 Exper. Ref: WAUCHOPE,RD ET AL. (1991A) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.91E-007 atm-m3/mole Group Method: Incomplete Exper Database: 2.29E-07 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.657E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.22 (KowWin est) Log Kaw used: -5.029 (exp database) Log Koa (KOAWIN v1.10 estimate): 8.249 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2584 Biowin2 (Non-Linear Model) : 0.0088 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2090 (months ) Biowin4 (Primary Survey Model) : 3.1404 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0271 Biowin6 (MITI Non-Linear Model): 0.0062 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3343 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): 0.00124 Pa (9.32E-006 mm Hg) Log Koa (Koawin est ): 8.249 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00241 Octanol/air (Koa) model: 4.36E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0802 Mackay model : 0.162 Octanol/air (Koa) model: 0.00347 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.1078 E-12 cm3/molecule-sec Half-Life = 2.604 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 31.246 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.121 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 58.16 Log Koc: 1.765 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 = 1.777 (BCF = 59.84) log Kow used: 3.22 (estimated) Volatilization from Water: Henry LC: 2.29E-007 atm-m3/mole (Henry experimental database) Half-Life from Model River: 4133 hours (172.2 days) Half-Life from Model Lake : 4.522E+004 hours (1884 days) Removal In Wastewater Treatment: Total removal: 8.07 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.92 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.48 62.5 1000 Water 12.5 1.44e+003 1000 Soil 86.4 2.88e+003 1000 Sediment 0.535 1.3e+004 0 Persistence Time: 2.02e+003 hr
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