Try beta.chemspider
Methyl (4-chlorophenyl)carbamate
COC(=O)Nc1ccc(cc1)Cl
InChI=1S/C8H8ClNO2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
CRGWHGISCDFEJY-UHFFFAOYSA-N
CSID:63509, http://www.chemspider.com/Chemical-Structure.63509.html (accessed 18:50, Jul 6, 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) = 2.40 Log Kow (Exper. database match) = 2.55 Exper. Ref: Takahashi,J et al. (1988) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 260.40 (Adapted Stein & Brown method) Melting Pt (deg C): 54.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00831 (Modified Grain method) Subcooled liquid VP: 0.0156 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): 343.3 log Kow used: 2.55 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 301.57 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.912E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.55 (exp database) Log Kaw used: -6.179 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.729 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5563 Biowin2 (Non-Linear Model) : 0.3468 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5357 (weeks-months) Biowin4 (Primary Survey Model) : 3.6082 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1559 Biowin6 (MITI Non-Linear Model): 0.1059 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0275 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): 2.08 Pa (0.0156 mm Hg) Log Koa (Koawin est ): 8.729 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.44E-006 Octanol/air (Koa) model: 0.000132 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.21E-005 Mackay model : 0.000115 Octanol/air (Koa) model: 0.0104 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.1077 E-12 cm3/molecule-sec Half-Life = 0.816 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.792 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.37E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 72.91 Log Koc: 1.863 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.447E-004 L/mol-sec Kb Half-Life at pH 8: 49.385 years Kb Half-Life at pH 7: 493.847 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.263 (BCF = 18.34) log Kow used: 2.55 (expkow database) Volatilization from Water: Henry LC: 1.62E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.924E+004 hours (2052 days) Half-Life from Model Lake : 5.373E+005 hours (2.239E+004 days) Removal In Wastewater Treatment: Total removal: 3.25 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.14 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 0.112 19.6 1000 Water 16.6 900 1000 Soil 83.1 1.8e+003 1000 Sediment 0.149 8.1e+003 0 Persistence Time: 1.5e+003 hr
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