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N-(Methylcarbamoyl)-N-[(methylcarbamoyl)oxy]acetamide
CC(=O)N(C(=O)NC)OC(=O)NC
InChI=1S/C6H11N3O4/c1-4(10)9(5(11)7-2)13-6(12)8-3/h1-3H3,(H,7,11)(H,8,12)
JURAJLFHWXNPHG-UHFFFAOYSA-N
CSID:49453, http://www.chemspider.com/Chemical-Structure.49453.html (accessed 03:21, May 6, 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) = -2.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 371.79 (Adapted Stein & Brown method) Melting Pt (deg C): 144.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.47E-006 (Modified Grain method) Subcooled liquid VP: 3.99E-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): 1.996e+005 log Kow used: -2.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0497e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.080E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.24 (KowWin est) Log Kaw used: -11.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.131 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6575 Biowin2 (Non-Linear Model) : 0.5799 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7811 (weeks ) Biowin4 (Primary Survey Model) : 3.5748 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1506 Biowin6 (MITI Non-Linear Model): 0.0533 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5974 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): 0.00532 Pa (3.99E-005 mm Hg) Log Koa (Koawin est ): 9.131 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000564 Octanol/air (Koa) model: 0.000332 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.02 Mackay model : 0.0432 Octanol/air (Koa) model: 0.0259 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.3796 E-12 cm3/molecule-sec Half-Life = 1.677 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.119 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0316 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.219E+012 L/mol-sec Kb Half-Life at pH 8: 0.000 seconds Kb Half-Life at pH 7: 0.000 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -2.24 (estimated) Volatilization from Water: Henry LC: 1.04E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.743E+009 hours (3.226E+008 days) Half-Life from Model Lake : 8.447E+010 hours (3.52E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 2.51e-006 40.2 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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