Ethyl methyl(nitroso)carbamate
CCOC(=O)N(C)N=O
InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3
CAUBWLYZCDDYEF-UHFFFAOYSA-N
CSID:11506, http://www.chemspider.com/Chemical-Structure.11506.html (accessed 01:46, 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) = 1.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 241.07 (Adapted Stein & Brown method) Melting Pt (deg C): 18.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0694 (Mean VP of Antoine & Grain methods) VP (exp database): 1.18E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8209 log Kow used: 1.22 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 3.7e+004 mg/L (25 deg C) Exper. Ref: MIRVISH,SS ET AL. (1976) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 41128 mg/L Wat Sol (Exper. database match) = 37000.00 Exper. Ref: MIRVISH,SS ET AL. (1976) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.43E-008 atm-m3/mole Group Method: Incomplete Exper Database: 5.54E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.470E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.22 (KowWin est) Log Kaw used: -3.645 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.865 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6846 Biowin2 (Non-Linear Model) : 0.7563 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9072 (weeks ) Biowin4 (Primary Survey Model) : 3.6571 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3693 Biowin6 (MITI Non-Linear Model): 0.3057 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7029 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): 157 Pa (1.18 mm Hg) Log Koa (Koawin est ): 4.865 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.91E-008 Octanol/air (Koa) model: 1.8E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.89E-007 Mackay model : 1.53E-006 Octanol/air (Koa) model: 1.44E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.9153 E-12 cm3/molecule-sec Half-Life = 1.808 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.698 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.11E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 52.19 Log Koc: 1.718 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.244E-009 L/mol-sec Kb Half-Life at pH 8: 1.766E+007 years Kb Half-Life at pH 7: 1.766E+008 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.238 (BCF = 1.732) log Kow used: 1.22 (estimated) Volatilization from Water: Henry LC: 5.54E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 122.6 hours (5.11 days) Half-Life from Model Lake : 1434 hours (59.77 days) Removal In Wastewater Treatment: Total removal: 2.22 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.82 percent Total to Air: 0.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.74 43.4 1000 Water 40.9 360 1000 Soil 55.3 720 1000 Sediment 0.0865 3.24e+003 0 Persistence Time: 371 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight