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1-Naphthyl (trichloroacetyl)carbamate
c1ccc2c(c1)cccc2OC(=O)NC(=O)C(Cl)(Cl)Cl
InChI=1S/C13H8Cl3NO3/c14-13(15,16)11(18)17-12(19)20-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,17,18,19)
XOQVMLWEVJIYNT-UHFFFAOYSA-N
CSID:611255, http://www.chemspider.com/Chemical-Structure.611255.html (accessed 23:59, May 20, 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) = 3.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 480.01 (Adapted Stein & Brown method) Melting Pt (deg C): 203.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14E-009 (Modified Grain method) Subcooled liquid VP: 8.76E-008 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): 4.336 log Kow used: 3.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.0022 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.21E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.150E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.82 (KowWin est) Log Kaw used: -7.882 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.702 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0711 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7326 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9126 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1489 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2101 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): 1.17E-005 Pa (8.76E-008 mm Hg) Log Koa (Koawin est ): 11.702 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.257 Octanol/air (Koa) model: 0.124 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.903 Mackay model : 0.954 Octanol/air (Koa) model: 0.908 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.9769 E-12 cm3/molecule-sec Half-Life = 0.428 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.139 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.928 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 624.4 Log Koc: 2.795 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.811E+004 L/mol-sec Kb Half-Life at pH 8: 10.176 seconds Kb Half-Life at pH 7: 1.696 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.239 (BCF = 173.4) log Kow used: 3.82 (estimated) Volatilization from Water: Henry LC: 3.21E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.326E+006 hours (1.386E+005 days) Half-Life from Model Lake : 3.629E+007 hours (1.512E+006 days) Removal In Wastewater Treatment: Total removal: 22.57 percent Total biodegradation: 0.26 percent Total sludge adsorption: 22.31 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 0.00709 10.3 1000 Water 4.44 4.32e+003 1000 Soil 94.4 8.64e+003 1000 Sediment 1.17 3.89e+004 0 Persistence Time: 7.51e+003 hr
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