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8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoate
CN1C2CCC1CC(C2)OC(=O)c3cc(cc(c3)Cl)Cl
InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3
MNJNPLVXBISNSX-UHFFFAOYSA-N
CSID:1620, http://www.chemspider.com/Chemical-Structure.1620.html (accessed 23:12, 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) = 3.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 370.77 (Adapted Stein & Brown method) Melting Pt (deg C): 136.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.22E-006 (Modified Grain method) Subcooled liquid VP: 4.22E-005 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): 40.28 log Kow used: 3.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 37.853 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.58E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.305E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.99 (KowWin est) Log Kaw used: -6.509 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.499 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2020 Biowin2 (Non-Linear Model) : 0.0259 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9770 (months ) Biowin4 (Primary Survey Model) : 3.0047 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1899 Biowin6 (MITI Non-Linear Model): 0.0117 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5990 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): 0.00563 Pa (4.22E-005 mm Hg) Log Koa (Koawin est ): 10.499 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000533 Octanol/air (Koa) model: 0.00774 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0189 Mackay model : 0.0409 Octanol/air (Koa) model: 0.383 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.9409 E-12 cm3/molecule-sec Half-Life = 0.206 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.471 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0299 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.015E+004 Log Koc: 4.006 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.434E-001 L/mol-sec Kb Half-Life at pH 8: 23.361 days Kb Half-Life at pH 7: 233.605 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.373 (BCF = 236.3) log Kow used: 3.99 (estimated) Volatilization from Water: Henry LC: 7.58E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.369E+005 hours (5705 days) Half-Life from Model Lake : 1.494E+006 hours (6.224E+004 days) Removal In Wastewater Treatment: Total removal: 29.61 percent Total biodegradation: 0.32 percent Total sludge adsorption: 29.29 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 0.0281 4.94 1000 Water 9.56 1.44e+003 1000 Soil 87.6 2.88e+003 1000 Sediment 2.8 1.3e+004 0 Persistence Time: 2.52e+003 hr
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