Methyl phenyl(2-piperidinyl)acetate
COC(=O)C(c1ccccc1)C2CCCCN2
InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
DUGOZIWVEXMGBE-UHFFFAOYSA-N
CSID:4015, http://www.chemspider.com/Chemical-Structure.4015.html (accessed 07:26, Apr 18, 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) = 2.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.52 (Adapted Stein & Brown method) Melting Pt (deg C): 100.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.89E-005 (Modified Grain method) BP (exp database): 135-137 @ 0.6 mm Hg deg C Subcooled liquid VP: 0.000323 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): 1255 log Kow used: 2.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2556.7 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 : 4.38E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.441E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.78 (KowWin est) Log Kaw used: -6.747 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.527 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1472 Biowin2 (Non-Linear Model) : 0.9993 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7954 (weeks ) Biowin4 (Primary Survey Model) : 3.7197 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5182 Biowin6 (MITI Non-Linear Model): 0.4136 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3247 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0431 Pa (0.000323 mm Hg) Log Koa (Koawin est ): 9.527 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.97E-005 Octanol/air (Koa) model: 0.000826 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00251 Mackay model : 0.00554 Octanol/air (Koa) model: 0.062 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.8022 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.158 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00403 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3112 Log Koc: 3.493 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.528E-003 L/mol-sec Kb Half-Life at pH 8: 2.305 years Kb Half-Life at pH 7: 23.051 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.441 (BCF = 27.62) log Kow used: 2.78 (estimated) Volatilization from Water: Henry LC: 4.38E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.042E+005 hours (8507 days) Half-Life from Model Lake : 2.228E+006 hours (9.281E+004 days) Removal In Wastewater Treatment: Total removal: 4.20 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.09 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 0.0585 2.32 1000 Water 19.6 360 1000 Soil 80.1 720 1000 Sediment 0.219 3.24e+003 0 Persistence Time: 655 hr
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