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1-Methyl-3-piperidinyl diphenylacetate
CN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3
InChI=1S/C20H23NO2/c1-21-14-8-13-18(15-21)23-20(22)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-15H2,1H3
JOOITGNDMHFLJI-UHFFFAOYSA-N
CSID:360392, http://www.chemspider.com/Chemical-Structure.360392.html (accessed 15:28, May 19, 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) = 4.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 401.39 (Adapted Stein & Brown method) Melting Pt (deg C): 140.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.19E-007 (Modified Grain method) Subcooled liquid VP: 7.69E-006 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): 28.04 log Kow used: 4.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.792 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 : 5.85E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.535E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.21 (KowWin est) Log Kaw used: -7.621 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.831 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8800 Biowin2 (Non-Linear Model) : 0.9905 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3700 (weeks-months) Biowin4 (Primary Survey Model) : 3.2835 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2147 Biowin6 (MITI Non-Linear Model): 0.0758 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1864 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): 0.00103 Pa (7.69E-006 mm Hg) Log Koa (Koawin est ): 11.831 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00293 Octanol/air (Koa) model: 0.166 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0956 Mackay model : 0.19 Octanol/air (Koa) model: 0.93 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 106.0083 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.211 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.143 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.259E+004 Log Koc: 4.917 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.623E-003 L/mol-sec Kb Half-Life at pH 8: 2.282 years Kb Half-Life at pH 7: 22.824 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.541 (BCF = 347.3) log Kow used: 4.21 (estimated) Volatilization from Water: Henry LC: 5.85E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.76E+006 hours (7.335E+004 days) Half-Life from Model Lake : 1.921E+007 hours (8.002E+005 days) Removal In Wastewater Treatment: Total removal: 40.46 percent Total biodegradation: 0.40 percent Total sludge adsorption: 40.06 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 0.00445 2.42 1000 Water 10.9 900 1000 Soil 84.9 1.8e+003 1000 Sediment 4.19 8.1e+003 0 Persistence Time: 1.86e+003 hr
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