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2-Methyl-2-propanyl 4-(4-morpholinyl)-1-piperidinecarboxylate
CC(C)(C)OC(=O)N1CCC(CC1)N2CCOCC2
InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15/h12H,4-11H2,1-3H3
JBWQUSZFCONMDT-UHFFFAOYSA-N
CSID:10813881, http://www.chemspider.com/Chemical-Structure.10813881.html (accessed 06:51, Jun 2, 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) = 1.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 334.53 (Adapted Stein & Brown method) Melting Pt (deg C): 113.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.1E-005 (Modified Grain method) Subcooled liquid VP: 0.000306 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): 5026 log Kow used: 1.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2223e+005 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 : 1.56E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.902E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.83 (KowWin est) Log Kaw used: -10.195 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.025 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0382 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0794 (months ) Biowin4 (Primary Survey Model) : 3.2001 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0200 Biowin6 (MITI Non-Linear Model): 0.0269 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9896 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): 0.0408 Pa (0.000306 mm Hg) Log Koa (Koawin est ): 12.025 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.35E-005 Octanol/air (Koa) model: 0.26 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00265 Mackay model : 0.00585 Octanol/air (Koa) model: 0.954 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 191.3750 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.671 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00425 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 298.5 Log Koc: 2.475 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 = 0.712 (BCF = 5.156) log Kow used: 1.83 (estimated) Volatilization from Water: Henry LC: 1.56E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.171E+008 hours (2.571E+007 days) Half-Life from Model Lake : 6.732E+009 hours (2.805E+008 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.02 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 1.23e-005 1.34 1000 Water 27 1.44e+003 1000 Soil 72.9 2.88e+003 1000 Sediment 0.0888 1.3e+004 0 Persistence Time: 1.74e+003 hr
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