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5-Ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
CCC1(C(=O)N(C(=O)O1)C)C
InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3
VQASKUSHBVDKGU-UHFFFAOYSA-N
CSID:7979, http://www.chemspider.com/Chemical-Structure.7979.html (accessed 09:22, 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) = 1.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 337.46 (Adapted Stein & Brown method) Melting Pt (deg C): 118.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.09E-005 (Modified Grain method) BP (exp database): 101.5 @ 11.3 mm Hg deg C Subcooled liquid VP: 0.000261 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): 8404 log Kow used: 1.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10191 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.46E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.604E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.08 (KowWin est) Log Kaw used: -3.998 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.078 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4888 Biowin2 (Non-Linear Model) : 0.2796 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6397 (weeks-months) Biowin4 (Primary Survey Model) : 3.4675 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3628 Biowin6 (MITI Non-Linear Model): 0.2451 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2891 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): 0.0348 Pa (0.000261 mm Hg) Log Koa (Koawin est ): 5.078 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.62E-005 Octanol/air (Koa) model: 2.94E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0031 Mackay model : 0.00685 Octanol/air (Koa) model: 2.35E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.5979 E-12 cm3/molecule-sec Half-Life = 1.408 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.893 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00498 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 21.23 Log Koc: 1.327 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 = 0.133 (BCF = 1.358) log Kow used: 1.08 (estimated) Volatilization from Water: Henry LC: 2.46E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 299.7 hours (12.49 days) Half-Life from Model Lake : 3374 hours (140.6 days) Removal In Wastewater Treatment: Total removal: 2.03 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.94 33.8 1000 Water 47.7 900 1000 Soil 50.3 1.8e+003 1000 Sediment 0.102 8.1e+003 0 Persistence Time: 613 hr
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