1-Methyl-4-piperidinyl hydroxy(diphenyl)acetate
CN1CCC(CC1)OC(=O)C(c2ccccc2)(c3ccccc3)O
InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
UGYPGJCVNPPUPE-UHFFFAOYSA-N
CSID:69594, http://www.chemspider.com/Chemical-Structure.69594.html (accessed 16:02, Dec 5, 2023)
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) = 2.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 431.07 (Adapted Stein & Brown method) Melting Pt (deg C): 166.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.8E-010 (Modified Grain method) Subcooled liquid VP: 2.24E-008 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): 432.8 log Kow used: 2.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1245.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.12E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.717E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.71 (KowWin est) Log Kaw used: -8.428 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.138 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6338 Biowin2 (Non-Linear Model) : 0.8928 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1974 (months ) Biowin4 (Primary Survey Model) : 3.1755 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2445 Biowin6 (MITI Non-Linear Model): 0.0560 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4393 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): 2.99E-006 Pa (2.24E-008 mm Hg) Log Koa (Koawin est ): 11.138 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1 Octanol/air (Koa) model: 0.0337 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.973 Mackay model : 0.988 Octanol/air (Koa) model: 0.73 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 104.8865 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.224 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.98 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3910 Log Koc: 3.592 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.808E-005 L/mol-sec Kb Half-Life at pH 8: 322.620 years Kb Half-Life at pH 7: 3226.204 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.384 (BCF = 24.2) log Kow used: 2.71 (estimated) Volatilization from Water: Henry LC: 9.12E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.158E+007 hours (4.825E+005 days) Half-Life from Model Lake : 1.263E+008 hours (5.264E+006 days) Removal In Wastewater Treatment: Total removal: 3.86 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.75 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 0.0173 2.45 1000 Water 13.8 1.44e+003 1000 Soil 86 2.88e+003 1000 Sediment 0.18 1.3e+004 0 Persistence Time: 2.16e+003 hr
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