Ethyl diphenylcarbamate
CCOC(=O)N(c1ccccc1)c2ccccc2
InChI=1S/C15H15NO2/c1-2-18-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
HKTSLDUAGCAISP-UHFFFAOYSA-N
CSID:62272, http://www.chemspider.com/Chemical-Structure.62272.html (accessed 20:29, Dec 7, 2023)
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) = 4.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 342.83 (Adapted Stein & Brown method) Melting Pt (deg C): 99.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.75E-005 (Modified Grain method) MP (exp database): 72 deg C BP (exp database): 360 deg C Subcooled liquid VP: 7.63E-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): 2.789 log Kow used: 4.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.89714 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.49E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.130E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.66 (KowWin est) Log Kaw used: -5.215 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.875 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9684 Biowin2 (Non-Linear Model) : 0.9851 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6633 (weeks-months) Biowin4 (Primary Survey Model) : 3.7030 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0828 Biowin6 (MITI Non-Linear Model): 0.0854 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2646 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): 0.0102 Pa (7.63E-005 mm Hg) Log Koa (Koawin est ): 9.875 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000295 Octanol/air (Koa) model: 0.00184 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0105 Mackay model : 0.023 Octanol/air (Koa) model: 0.128 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.4835 E-12 cm3/molecule-sec Half-Life = 0.363 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.353 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0168 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3268 Log Koc: 3.514 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.694E-026 L/mol-sec Kb Half-Life at pH 8: 2.266E+023 years Kb Half-Life at pH 7: 2.266E+024 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.885 (BCF = 768.1) log Kow used: 4.66 (estimated) Volatilization from Water: Henry LC: 1.49E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6105 hours (254.4 days) Half-Life from Model Lake : 6.673E+004 hours (2781 days) Removal In Wastewater Treatment: Total removal: 64.11 percent Total biodegradation: 0.58 percent Total sludge adsorption: 63.52 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 0.226 8.71 1000 Water 13.2 900 1000 Soil 72.4 1.8e+003 1000 Sediment 14.2 8.1e+003 0 Persistence Time: 1.37e+003 hr
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