Isopropyl carbamoyl(phenyl)carbamate
CC(C)OC(=O)N(c1ccccc1)C(=O)N
InChI=1S/C11H14N2O3/c1-8(2)16-11(15)13(10(12)14)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,12,14)
PJDBUJKWAAGPHW-UHFFFAOYSA-N
CSID:114534, http://www.chemspider.com/Chemical-Structure.114534.html (accessed 18:42, Apr 19, 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) = 1.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.82 (Adapted Stein & Brown method) Melting Pt (deg C): 136.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.54E-006 (Modified Grain method) Subcooled liquid VP: 3.37E-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): 3453 log Kow used: 1.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 57.977 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.46E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.151E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.16 (KowWin est) Log Kaw used: -6.849 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.009 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7698 Biowin2 (Non-Linear Model) : 0.8391 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7300 (weeks-months) Biowin4 (Primary Survey Model) : 3.5320 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0422 Biowin6 (MITI Non-Linear Model): 0.0339 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2521 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): 0.00449 Pa (3.37E-005 mm Hg) Log Koa (Koawin est ): 8.009 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000668 Octanol/air (Koa) model: 2.51E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0235 Mackay model : 0.0507 Octanol/air (Koa) model: 0.002 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.0631 E-12 cm3/molecule-sec Half-Life = 0.464 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.565 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0371 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 79.02 Log Koc: 1.898 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 = 0.190 (BCF = 1.548) log Kow used: 1.16 (estimated) Volatilization from Water: Henry LC: 3.46E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.523E+005 hours (1.051E+004 days) Half-Life from Model Lake : 2.752E+006 hours (1.147E+005 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.81 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 0.0423 11.1 1000 Water 39.1 900 1000 Soil 60.8 1.8e+003 1000 Sediment 0.0858 8.1e+003 0 Persistence Time: 1.05e+003 hr
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