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2-Methyl-2-propanyl 4-hydroxy-1-piperidinecarboxylate
CC(C)(C)OC(=O)N1CCC(CC1)O
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3
PWQLFIKTGRINFF-UHFFFAOYSA-N
CSID:558645, http://www.chemspider.com/Chemical-Structure.558645.html (accessed 08:21, Apr 23, 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) = 1.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 281.72 (Adapted Stein & Brown method) Melting Pt (deg C): 72.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000156 (Modified Grain method) Subcooled liquid VP: 0.000433 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): 2045 log Kow used: 1.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 44121 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.68E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.020E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.55 (KowWin est) Log Kaw used: -9.163 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.713 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7061 Biowin2 (Non-Linear Model) : 0.6352 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6555 (weeks-months) Biowin4 (Primary Survey Model) : 3.7270 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3912 Biowin6 (MITI Non-Linear Model): 0.3572 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0447 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): 0.0577 Pa (0.000433 mm Hg) Log Koa (Koawin est ): 10.713 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.2E-005 Octanol/air (Koa) model: 0.0127 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00187 Mackay model : 0.00414 Octanol/air (Koa) model: 0.504 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.6728 E-12 cm3/molecule-sec Half-Life = 0.318 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.812 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00301 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 16.78 Log Koc: 1.225 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 = 0.494 (BCF = 3.116) log Kow used: 1.55 (estimated) Volatilization from Water: Henry LC: 1.68E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.944E+007 hours (2.06E+006 days) Half-Life from Model Lake : 5.394E+008 hours (2.247E+007 days) Removal In Wastewater Treatment: Total removal: 1.99 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 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 0.00019 7.62 1000 Water 31.9 900 1000 Soil 68 1.8e+003 1000 Sediment 0.0831 8.1e+003 0 Persistence Time: 1.21e+003 hr
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