Try beta.chemspider
4-Chloro-3,5-dimethylphenyl dimethylcarbamate
Cc1cc(cc(c1Cl)C)OC(=O)N(C)C
InChI=1S/C11H14ClNO2/c1-7-5-9(6-8(2)10(7)12)15-11(14)13(3)4/h5-6H,1-4H3
MUFLZNRUWYJZCT-UHFFFAOYSA-N
CSID:4966045, http://www.chemspider.com/Chemical-Structure.4966045.html (accessed 03:49, Jul 5, 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) = 3.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 294.02 (Adapted Stein & Brown method) Melting Pt (deg C): 75.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000898 (Modified Grain method) Subcooled liquid VP: 0.00268 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): 45.66 log Kow used: 3.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 76.837 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.36E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.892E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.32 (KowWin est) Log Kaw used: -5.585 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.905 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6456 Biowin2 (Non-Linear Model) : 0.4809 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2930 (weeks-months) Biowin4 (Primary Survey Model) : 3.4105 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0976 Biowin6 (MITI Non-Linear Model): 0.0495 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6597 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): 0.357 Pa (0.00268 mm Hg) Log Koa (Koawin est ): 8.905 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.4E-006 Octanol/air (Koa) model: 0.000197 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000303 Mackay model : 0.000671 Octanol/air (Koa) model: 0.0155 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.0135 E-12 cm3/molecule-sec Half-Life = 1.187 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.240 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000487 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 111.9 Log Koc: 2.049 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 = 1.857 (BCF = 71.99) log Kow used: 3.32 (estimated) Volatilization from Water: Henry LC: 6.36E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.389E+004 hours (578.8 days) Half-Life from Model Lake : 1.517E+005 hours (6320 days) Removal In Wastewater Treatment: Total removal: 9.54 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.39 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 0.304 28.5 1000 Water 14.1 900 1000 Soil 84.9 1.8e+003 1000 Sediment 0.67 8.1e+003 0 Persistence Time: 1.47e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight