2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl (4-methyl-1,2,5-oxadiazol-3-yl)carbamate
Cc1c(non1)NC(=O)OCCN2CCOC2=O
InChI=1S/C9H12N4O5/c1-6-7(12-18-11-6)10-8(14)16-4-2-13-3-5-17-9(13)15/h2-5H2,1H3,(H,10,12,14)
QZOGRYWPHNETAH-UHFFFAOYSA-N
CSID:2486801, http://www.chemspider.com/Chemical-Structure.2486801.html (accessed 12:46, Apr 19, 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) = 0.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 396.25 (Adapted Stein & Brown method) Melting Pt (deg C): 164.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.8E-007 (Modified Grain method) Subcooled liquid VP: 1.03E-005 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): 5540 log Kow used: 0.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0427e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.03E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.312E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.70 (KowWin est) Log Kaw used: -10.081 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.781 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8393 Biowin2 (Non-Linear Model) : 0.8772 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4647 (weeks-months) Biowin4 (Primary Survey Model) : 3.7968 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0427 Biowin6 (MITI Non-Linear Model): 0.0836 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2763 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): 0.00137 Pa (1.03E-005 mm Hg) Log Koa (Koawin est ): 10.781 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00218 Octanol/air (Koa) model: 0.0148 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0731 Mackay model : 0.149 Octanol/air (Koa) model: 0.543 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.0100 E-12 cm3/molecule-sec Half-Life = 0.356 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.277 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.111 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 15.5 Log Koc: 1.190 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 = 0.500 (BCF = 3.162) log Kow used: 0.70 (estimated) Volatilization from Water: Henry LC: 2.03E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.617E+008 hours (1.924E+007 days) Half-Life from Model Lake : 5.036E+009 hours (2.098E+008 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 3e-005 8.55 1000 Water 43.3 900 1000 Soil 56.6 1.8e+003 1000 Sediment 0.0872 8.1e+003 0 Persistence Time: 1.02e+003 hr
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