Diethyl 1,3-propanediylbiscarbamate
CCOC(=O)NCCCNC(=O)OCC
InChI=1S/C9H18N2O4/c1-3-14-8(12)10-6-5-7-11-9(13)15-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
BWWHOVJFNMPUKF-UHFFFAOYSA-N
CSID:261193, http://www.chemspider.com/Chemical-Structure.261193.html (accessed 08:12, Apr 18, 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) = 1.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 273.94 (Adapted Stein & Brown method) Melting Pt (deg C): 12.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00744 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4519 log Kow used: 1.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23452 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.05E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.728E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.04 (KowWin est) Log Kaw used: -7.685 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.725 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8027 Biowin2 (Non-Linear Model) : 0.8731 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6234 (weeks-months) Biowin4 (Primary Survey Model) : 3.9201 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2238 Biowin6 (MITI Non-Linear Model): 0.3206 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8069 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): 1.03 Pa (0.0077 mm Hg) Log Koa (Koawin est ): 8.725 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.92E-006 Octanol/air (Koa) model: 0.00013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000106 Mackay model : 0.000234 Octanol/air (Koa) model: 0.0103 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.3463 E-12 cm3/molecule-sec Half-Life = 0.321 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.849 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00017 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 142.8 Log Koc: 2.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.857E-006 L/mol-sec Kb Half-Life at pH 8: 2228.240 years Kb Half-Life at pH 7: 2.228E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.103 (BCF = 1.269) log Kow used: 1.04 (estimated) Volatilization from Water: Henry LC: 5.05E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.713E+006 hours (7.137E+004 days) Half-Life from Model Lake : 1.868E+007 hours (7.785E+005 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 0.00641 7.7 1000 Water 40.3 900 1000 Soil 59.6 1.8e+003 1000 Sediment 0.0857 8.1e+003 0 Persistence Time: 1.05e+003 hr
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