Ethyl carbamoyl(2-chlorophenyl)carbamate
CCOC(=O)N(c1ccccc1Cl)C(=O)N
InChI=1S/C10H11ClN2O3/c1-2-16-10(15)13(9(12)14)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,14)
DIPOJLBMCDRHCA-UHFFFAOYSA-N
CSID:38380, http://www.chemspider.com/Chemical-Structure.38380.html (accessed 16:16, Mar 28, 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) = 1.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 388.91 (Adapted Stein & Brown method) Melting Pt (deg C): 152.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.77E-007 (Modified Grain method) Subcooled liquid VP: 1.54E-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): 988.7 log Kow used: 1.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.49461 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.93E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.509E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.66 (KowWin est) Log Kaw used: -7.103 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.763 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4496 Biowin2 (Non-Linear Model) : 0.0792 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4563 (weeks-months) Biowin4 (Primary Survey Model) : 3.3323 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0791 Biowin6 (MITI Non-Linear Model): 0.0225 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0015 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): 0.00205 Pa (1.54E-005 mm Hg) Log Koa (Koawin est ): 8.763 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00146 Octanol/air (Koa) model: 0.000142 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0501 Mackay model : 0.105 Octanol/air (Koa) model: 0.0113 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.2757 E-12 cm3/molecule-sec Half-Life = 1.153 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.837 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0774 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 84.51 Log Koc: 1.927 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.047E-020 L/mol-sec Kb Half-Life at pH 8: 5.427E+017 years Kb Half-Life at pH 7: 5.427E+018 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.580 (BCF = 3.8) log Kow used: 1.66 (estimated) Volatilization from Water: Henry LC: 1.93E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.726E+005 hours (1.969E+004 days) Half-Life from Model Lake : 5.155E+006 hours (2.148E+005 days) Removal In Wastewater Treatment: Total removal: 2.03 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.94 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 0.022 27.7 1000 Water 29.9 900 1000 Soil 70 1.8e+003 1000 Sediment 0.0836 8.1e+003 0 Persistence Time: 1.24e+003 hr
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