3-Acetylphenyl dimethylcarbamate
CC(=O)c1cccc(c1)OC(=O)N(C)C
InChI=1S/C11H13NO3/c1-8(13)9-5-4-6-10(7-9)15-11(14)12(2)3/h4-7H,1-3H3
DSKANQFCDOSIHF-UHFFFAOYSA-N
CSID:10296879, http://www.chemspider.com/Chemical-Structure.10296879.html (accessed 22:23, Apr 17, 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) = 1.26 Log Kow (Exper. database match) = 1.18 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 299.12 (Adapted Stein & Brown method) Melting Pt (deg C): 75.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00068 (Modified Grain method) Subcooled liquid VP: 0.00204 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): 3945 log Kow used: 1.18 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11543 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.28E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.700E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.18 (exp database) Log Kaw used: -8.281 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.461 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7353 Biowin2 (Non-Linear Model) : 0.6508 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6720 (weeks-months) Biowin4 (Primary Survey Model) : 3.7202 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2040 Biowin6 (MITI Non-Linear Model): 0.1590 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1762 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): 0.272 Pa (0.00204 mm Hg) Log Koa (Koawin est ): 9.461 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.1E-005 Octanol/air (Koa) model: 0.00071 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000398 Mackay model : 0.000882 Octanol/air (Koa) model: 0.0537 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.1476 E-12 cm3/molecule-sec Half-Life = 1.740 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.878 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00064 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.061E-005 L/mol-sec Kb Half-Life at pH 8: 717.616 years Kb Half-Life at pH 7: 7176.159 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = -0.631 (BCF = 0.2337) log Kow used: 1.18 (expkow database) Volatilization from Water: Henry LC: 1.28E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.585E+006 hours (2.744E+005 days) Half-Life from Model Lake : 7.183E+007 hours (2.993E+006 days) Removal In Wastewater Treatment: Total removal: 1.91 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 0.0016 41.8 1000 Water 38.3 900 1000 Soil 61.6 1.8e+003 1000 Sediment 0.0847 8.1e+003 0 Persistence Time: 1.09e+003 hr
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