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2-Methyl-2-propanyl 4-(2-fluorophenoxy)-1-piperidinecarboxylate
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccccc2F
InChI=1S/C16H22FNO3/c1-16(2,3)21-15(19)18-10-8-12(9-11-18)20-14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3
VACFTPDKTBMOKP-UHFFFAOYSA-N
CSID:20563265, http://www.chemspider.com/Chemical-Structure.20563265.html (accessed 02:51, Jul 30, 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) = 4.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 345.22 (Adapted Stein & Brown method) Melting Pt (deg C): 111.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.4E-005 (Modified Grain method) Subcooled liquid VP: 0.000171 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): 2.042 log Kow used: 4.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.41 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.33E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.568E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.46 (KowWin est) Log Kaw used: -7.021 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.481 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1755 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8226 (months ) Biowin4 (Primary Survey Model) : 3.5524 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1957 Biowin6 (MITI Non-Linear Model): 0.0015 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3812 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): 0.0228 Pa (0.000171 mm Hg) Log Koa (Koawin est ): 11.481 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000132 Octanol/air (Koa) model: 0.0743 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00473 Mackay model : 0.0104 Octanol/air (Koa) model: 0.856 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 48.4223 E-12 cm3/molecule-sec Half-Life = 0.221 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.651 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00757 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8790 Log Koc: 3.944 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.520E-013 L/mol-sec Kb Half-Life at pH 8: 6.240E+010 years Kb Half-Life at pH 7: 6.240E+011 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.732 (BCF = 539.1) log Kow used: 4.46 (estimated) Volatilization from Water: Henry LC: 2.33E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.319E+005 hours (1.799E+004 days) Half-Life from Model Lake : 4.711E+006 hours (1.963E+005 days) Removal In Wastewater Treatment: Total removal: 53.91 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.40 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 0.00959 5.3 1000 Water 8.07 1.44e+003 1000 Soil 84.7 2.88e+003 1000 Sediment 7.26 1.3e+004 0 Persistence Time: 2.92e+003 hr
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