8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2-(4-chlorophenoxy)butanoate
CCC(C(=O)OC1CC2CCC(C1)N2C)Oc3ccc(cc3)Cl
InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3
WTPAXDRULIZRDJ-UHFFFAOYSA-N
CSID:3867539, http://www.chemspider.com/Chemical-Structure.3867539.html (accessed 00:15, Apr 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) = 4.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 391.94 (Adapted Stein & Brown method) Melting Pt (deg C): 145.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.92E-007 (Modified Grain method) Subcooled liquid VP: 1.3E-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): 26.39 log Kow used: 4.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.7236 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 : 2.79E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.334E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.04 (KowWin est) Log Kaw used: -6.943 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.983 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5051 Biowin2 (Non-Linear Model) : 0.5746 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0733 (months ) Biowin4 (Primary Survey Model) : 3.2130 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3160 Biowin6 (MITI Non-Linear Model): 0.0427 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3336 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): 0.00173 Pa (1.3E-005 mm Hg) Log Koa (Koawin est ): 10.983 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00173 Octanol/air (Koa) model: 0.0236 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0588 Mackay model : 0.122 Octanol/air (Koa) model: 0.654 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.6412 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.017 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0902 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.518E+004 Log Koc: 4.181 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.038E-002 L/mol-sec Kb Half-Life at pH 8: 264.048 days Kb Half-Life at pH 7: 7.229 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.412 (BCF = 258.4) log Kow used: 4.04 (estimated) Volatilization from Water: Henry LC: 2.79E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.857E+005 hours (1.607E+004 days) Half-Life from Model Lake : 4.208E+006 hours (1.753E+005 days) Removal In Wastewater Treatment: Total removal: 31.92 percent Total biodegradation: 0.34 percent Total sludge adsorption: 31.59 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 0.0123 4.03 1000 Water 8.99 1.44e+003 1000 Soil 88 2.88e+003 1000 Sediment 2.97 1.3e+004 0 Persistence Time: 2.71e+003 hr
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