Try beta.chemspider
Diethyl (1,3-dioxo-1,3-propanediyl)biscarbamate
CCOC(=O)NC(=O)CC(=O)NC(=O)OCC
InChI=1S/C9H14N2O6/c1-3-16-8(14)10-6(12)5-7(13)11-9(15)17-4-2/h3-5H2,1-2H3,(H,10,12,14)(H,11,13,15)
DPOPJTBOMCSYAQ-UHFFFAOYSA-N
CSID:135951, http://www.chemspider.com/Chemical-Structure.135951.html (accessed 01:38, Apr 27, 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) = -0.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 478.21 (Adapted Stein & Brown method) Melting Pt (deg C): 202.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.3E-009 (Modified Grain method) Subcooled liquid VP: 9.71E-008 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): 1241 log Kow used: -0.01 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2.5e+004 mg/L (15 deg C) Exper. Ref: BEILSTEIN Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0265e+005 mg/L Wat Sol (Exper. database match) = 25000.00 Exper. Ref: BEILSTEIN ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.24E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.394E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.01 (KowWin est) Log Kaw used: -13.593 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.583 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6303 Biowin2 (Non-Linear Model) : 0.3804 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6551 (weeks-months) Biowin4 (Primary Survey Model) : 3.4925 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1287 Biowin6 (MITI Non-Linear Model): 0.0371 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): 1.29E-005 Pa (9.71E-008 mm Hg) Log Koa (Koawin est ): 13.583 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.232 Octanol/air (Koa) model: 9.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.893 Mackay model : 0.949 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.2263 E-12 cm3/molecule-sec Half-Life = 0.702 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.430 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.921 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 15.83 Log Koc: 1.199 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.435E-001 L/mol-sec Kb Half-Life at pH 8: 55.918 days Kb Half-Life at pH 7: 1.531 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.01 (estimated) Volatilization from Water: Henry LC: 6.24E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.472E+012 hours (6.135E+010 days) Half-Life from Model Lake : 1.606E+013 hours (6.692E+011 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 1.14e-007 16.9 1000 Water 45.8 900 1000 Soil 54.1 1.8e+003 1000 Sediment 0.0887 8.1e+003 0 Persistence Time: 981 hr
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