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Benzyl [2,2,2-trichloro-1-(1-naphthylamino)ethyl]carbamate
c1ccc(cc1)COC(=O)NC(C(Cl)(Cl)Cl)Nc2cccc3c2cccc3
InChI=1S/C20H17Cl3N2O2/c21-20(22,23)18(25-19(26)27-13-14-7-2-1-3-8-14)24-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,18,24H,13H2,(H,25,26)
JACRQPMNCLCOPA-UHFFFAOYSA-N
CSID:2346815, http://www.chemspider.com/Chemical-Structure.2346815.html (accessed 08:06, May 11, 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) = 5.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 494.23 (Adapted Stein & Brown method) Melting Pt (deg C): 209.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.18E-010 (Modified Grain method) Subcooled liquid VP: 3.84E-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): 0.05294 log Kow used: 5.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.10891 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.13E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.402E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.40 (KowWin est) Log Kaw used: -10.535 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.935 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0016 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3715 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8713 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6865 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9201 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): 5.12E-006 Pa (3.84E-008 mm Hg) Log Koa (Koawin est ): 15.935 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.586 Octanol/air (Koa) model: 2.11E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.955 Mackay model : 0.979 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 218.6650 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.587 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.967 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.683E+006 Log Koc: 6.226 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.992E-004 L/mol-sec Kb Half-Life at pH 8: 31.412 years Kb Half-Life at pH 7: 314.117 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.461 (BCF = 2889) log Kow used: 5.40 (estimated) Volatilization from Water: Henry LC: 7.13E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.69E+009 hours (7.043E+007 days) Half-Life from Model Lake : 1.844E+010 hours (7.683E+008 days) Removal In Wastewater Treatment: Total removal: 86.88 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.15 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 2.97e-005 1.17 1000 Water 2.16 4.32e+003 1000 Soil 73.3 8.64e+003 1000 Sediment 24.5 3.89e+004 0 Persistence Time: 1.07e+004 hr
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