1,2,5-Trimethyl-4-phenyl-4-piperidinyl propionate
CCC(=O)OC1(CC(N(CC1C)C)C)c2ccccc2
InChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2/h6-10,13-14H,5,11-12H2,1-4H3
UVITTYOJFDLOGI-UHFFFAOYSA-N
CSID:88971, http://www.chemspider.com/Chemical-Structure.88971.html (accessed 10:17, Dec 1, 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) = 3.86 Log Kow (Exper. database match) = 3.13 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.19 (Adapted Stein & Brown method) Melting Pt (deg C): 109.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.41E-005 (Modified Grain method) Subcooled liquid VP: 0.000163 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): 368.2 log Kow used: 3.13 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 77.947 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 : 1.69E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.372E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.13 (exp database) Log Kaw used: -6.161 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.291 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5295 Biowin2 (Non-Linear Model) : 0.7370 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2859 (weeks-months) Biowin4 (Primary Survey Model) : 3.2428 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3759 Biowin6 (MITI Non-Linear Model): 0.1094 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1135 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): 0.0217 Pa (0.000163 mm Hg) Log Koa (Koawin est ): 9.291 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000138 Octanol/air (Koa) model: 0.00048 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00496 Mackay model : 0.0109 Octanol/air (Koa) model: 0.037 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 109.5757 E-12 cm3/molecule-sec Half-Life = 0.098 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.171 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00794 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9750 Log Koc: 3.989 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.071E-002 L/mol-sec Kb Half-Life at pH 8: 158.191 days Kb Half-Life at pH 7: 4.331 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.710 (BCF = 51.3) log Kow used: 3.13 (expkow database) Volatilization from Water: Henry LC: 1.69E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.749E+004 hours (2396 days) Half-Life from Model Lake : 6.273E+005 hours (2.614E+004 days) Removal In Wastewater Treatment: Total removal: 6.96 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.83 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 0.0577 2.34 1000 Water 16.1 900 1000 Soil 83.4 1.8e+003 1000 Sediment 0.49 8.1e+003 0 Persistence Time: 1.28e+003 hr
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