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Benzyl 2-methyl-2-propanyl 1,2-ethanediylbiscarbamate
CC(C)(C)OC(=O)NCCNC(=O)OCc1ccccc1
InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-10-9-16-13(18)20-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)(H,17,19)
KSRSLPBOKBJBBE-UHFFFAOYSA-N
CSID:338008, http://www.chemspider.com/Chemical-Structure.338008.html (accessed 17:36, May 2, 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) = 2.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 358.30 (Adapted Stein & Brown method) Melting Pt (deg C): 85.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.23E-005 (Modified Grain method) Subcooled liquid VP: 8.38E-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): 73.69 log Kow used: 2.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 285.91 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.07E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.172E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.64 (KowWin est) Log Kaw used: -8.779 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.419 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7107 Biowin2 (Non-Linear Model) : 0.7158 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2652 (weeks-months) Biowin4 (Primary Survey Model) : 3.6618 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0974 Biowin6 (MITI Non-Linear Model): 0.0342 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0488 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): 0.0112 Pa (8.38E-005 mm Hg) Log Koa (Koawin est ): 11.419 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000268 Octanol/air (Koa) model: 0.0644 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0096 Mackay model : 0.021 Octanol/air (Koa) model: 0.837 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.4624 E-12 cm3/molecule-sec Half-Life = 0.329 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.954 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0153 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3725 Log Koc: 3.571 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.402E-003 L/mol-sec Kb Half-Life at pH 8: 15.669 years Kb Half-Life at pH 7: 156.690 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.333 (BCF = 21.52) log Kow used: 2.64 (estimated) Volatilization from Water: Henry LC: 4.07E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.468E+007 hours (1.028E+006 days) Half-Life from Model Lake : 2.692E+008 hours (1.122E+007 days) Removal In Wastewater Treatment: Total removal: 3.56 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.46 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 0.000331 7.91 1000 Water 14.8 900 1000 Soil 85 1.8e+003 1000 Sediment 0.158 8.1e+003 0 Persistence Time: 1.69e+003 hr
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