Diethyl methylenebiscarbamate
CCOC(=O)NCNC(=O)OCC
InChI=1S/C7H14N2O4/c1-3-12-6(10)8-5-9-7(11)13-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
QSPOJWMZYOMAEI-UHFFFAOYSA-N
CSID:18291, http://www.chemspider.com/Chemical-Structure.18291.html (accessed 12:54, Jun 9, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 239.71 (Adapted Stein & Brown method) Melting Pt (deg C): -9.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.047 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2130 log Kow used: 0.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4237e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.06E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.522E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.06 (KowWin est) Log Kaw used: -5.431 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.491 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8161 Biowin2 (Non-Linear Model) : 0.9111 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6854 (weeks-months) Biowin4 (Primary Survey Model) : 3.9606 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2084 Biowin6 (MITI Non-Linear Model): 0.3100 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7549 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): 6 Pa (0.045 mm Hg) Log Koa (Koawin est ): 5.491 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5E-007 Octanol/air (Koa) model: 7.6E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.81E-005 Mackay model : 4E-005 Octanol/air (Koa) model: 6.08E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.2385 E-12 cm3/molecule-sec Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.909 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.9E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 41.97 Log Koc: 1.623 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.610E-005 L/mol-sec Kb Half-Life at pH 8: 228.540 years Kb Half-Life at pH 7: 2285.399 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.06 (estimated) Volatilization from Water: Henry LC: 9.06E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8914 hours (371.4 days) Half-Life from Model Lake : 9.736E+004 hours (4057 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.268 3.82 1000 Water 52.4 900 1000 Soil 47.2 1.8e+003 1000 Sediment 0.102 8.1e+003 0 Persistence Time: 616 hr
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