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3-Methylphenyl methylcarbamate
Cc1cccc(c1)OC(=O)NC
InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
VOEYXMAFNDNNED-UHFFFAOYSA-N
CSID:13684, http://www.chemspider.com/Chemical-Structure.13684.html (accessed 06:56, Apr 25, 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) = 1.72 Log Kow (Exper. database match) = 1.70 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 249.86 (Adapted Stein & Brown method) Melting Pt (deg C): 42.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00869 (Modified Grain method) MP (exp database): 76.5 deg C VP (exp database): 1.08E-03 mm Hg at 20 deg C Subcooled liquid VP: 0.00349 mm Hg (20 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2289 log Kow used: 1.70 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2600 mg/L (30 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2858.4 mg/L Wat Sol (Exper. database match) = 2600.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.54E-008 atm-m3/mole Group Method: Incomplete Exper Database: 9.03E-08 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.252E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (exp database) Log Kaw used: -5.433 (exp database) Log Koa (KOAWIN v1.10 estimate): 7.133 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8031 Biowin2 (Non-Linear Model) : 0.9046 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7126 (weeks-months) Biowin4 (Primary Survey Model) : 3.7345 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2520 Biowin6 (MITI Non-Linear Model): 0.2656 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0030 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): 0.465 Pa (0.00349 mm Hg) Log Koa (Koawin est ): 7.133 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.45E-006 Octanol/air (Koa) model: 3.33E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000233 Mackay model : 0.000515 Octanol/air (Koa) model: 0.000267 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.1058 E-12 cm3/molecule-sec Half-Life = 1.175 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.096 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000374 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 34.54 Log Koc: 1.538 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.174E+000 L/mol-sec Kb Half-Life at pH 8: 2.527 days Kb Half-Life at pH 7: 25.274 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.609 (BCF = 4.064) log Kow used: 1.70 (expkow database) Volatilization from Water: Henry LC: 9.03E-008 atm-m3/mole (Henry experimental database) Half-Life from Model River: 8335 hours (347.3 days) Half-Life from Model Lake : 9.103E+004 hours (3793 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.95 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.584 28.2 1000 Water 32.4 900 1000 Soil 66.9 1.8e+003 1000 Sediment 0.0935 8.1e+003 0 Persistence Time: 968 hr
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