2-Methyl-2-propanyl 4-(hydroxyimino)-1-piperidinecarboxylate
CC(C)(C)OC(=O)N1CCC(=NO)CC1
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-6-4-8(11-14)5-7-12/h14H,4-7H2,1-3H3
LDLQTMSUZKHEHY-UHFFFAOYSA-N
CSID:13636682, http://www.chemspider.com/Chemical-Structure.13636682.html (accessed 08:11, Mar 29, 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) = 0.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 319.96 (Adapted Stein & Brown method) Melting Pt (deg C): 92.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.28E-006 (Modified Grain method) Subcooled liquid VP: 3.72E-005 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): 7274 log Kow used: 0.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 781 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 : 2.77E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.209E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.83 (KowWin est) Log Kaw used: -8.946 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.776 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5411 Biowin2 (Non-Linear Model) : 0.3213 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4668 (weeks-months) Biowin4 (Primary Survey Model) : 3.5788 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1790 Biowin6 (MITI Non-Linear Model): 0.1373 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2169 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): 0.00496 Pa (3.72E-005 mm Hg) Log Koa (Koawin est ): 9.776 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000605 Octanol/air (Koa) model: 0.00147 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0214 Mackay model : 0.0462 Octanol/air (Koa) model: 0.105 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.2602 E-12 cm3/molecule-sec Half-Life = 0.460 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.518 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0338 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1072 Log Koc: 3.030 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 = 0.500 (BCF = 3.162) log Kow used: 0.83 (estimated) Volatilization from Water: Henry LC: 2.77E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.094E+007 hours (1.289E+006 days) Half-Life from Model Lake : 3.375E+008 hours (1.406E+007 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 0.000375 11 1000 Water 42.3 900 1000 Soil 57.6 1.8e+003 1000 Sediment 0.0867 8.1e+003 0 Persistence Time: 1.03e+003 hr
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