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Benzyl 4-(2-oxoethyl)-1-piperidinecarboxylate
c1ccc(cc1)COC(=O)N2CCC(CC2)CC=O
InChI=1S/C15H19NO3/c17-11-8-13-6-9-16(10-7-13)15(18)19-12-14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2
SRDLYAHRIXBDKX-UHFFFAOYSA-N
CSID:11305034, http://www.chemspider.com/Chemical-Structure.11305034.html (accessed 14:16, Apr 26, 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) = 2.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 365.25 (Adapted Stein & Brown method) Melting Pt (deg C): 125.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.76E-006 (Modified Grain method) Subcooled liquid VP: 5.72E-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): 74.84 log Kow used: 2.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 324.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.94E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.646E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.85 (KowWin est) Log Kaw used: -9.101 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.951 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1154 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6193 (weeks-months) Biowin4 (Primary Survey Model) : 3.8659 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4288 Biowin6 (MITI Non-Linear Model): 0.4666 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2777 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): 0.00763 Pa (5.72E-005 mm Hg) Log Koa (Koawin est ): 11.951 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000393 Octanol/air (Koa) model: 0.219 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.014 Mackay model : 0.0305 Octanol/air (Koa) model: 0.946 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 65.1548 E-12 cm3/molecule-sec Half-Life = 0.164 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.970 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0223 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1233 Log Koc: 3.091 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.056E-011 L/mol-sec Kb Half-Life at pH 8: 4.344E+008 years Kb Half-Life at pH 7: 4.344E+009 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.497 (BCF = 31.4) log Kow used: 2.85 (estimated) Volatilization from Water: Henry LC: 1.94E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.879E+007 hours (2.033E+006 days) Half-Life from Model Lake : 5.322E+008 hours (2.218E+007 days) Removal In Wastewater Treatment: Total removal: 4.60 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.48 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 0.000154 3.94 1000 Water 13.5 900 1000 Soil 86.3 1.8e+003 1000 Sediment 0.222 8.1e+003 0 Persistence Time: 1.75e+003 hr
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