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2-Methyl-2-propanyl 3-carbamoyl-1-pyrrolidinecarboxylate
CC(C)(C)OC(=O)N1CCC(C1)C(=O)N
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
NHDGOVOBEZPXMY-UHFFFAOYSA-N
CSID:3764048, http://www.chemspider.com/Chemical-Structure.3764048.html (accessed 02:01, Apr 27, 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) = 0.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 350.47 (Adapted Stein & Brown method) Melting Pt (deg C): 131.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.11E-005 (Modified Grain method) Subcooled liquid VP: 0.000129 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): 1.304e+004 log Kow used: 0.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3317e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.35E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.400E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.53 (KowWin est) Log Kaw used: -8.467 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.997 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7513 Biowin2 (Non-Linear Model) : 0.8747 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4126 (weeks-months) Biowin4 (Primary Survey Model) : 3.7842 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2983 Biowin6 (MITI Non-Linear Model): 0.2112 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6253 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): 0.0172 Pa (0.000129 mm Hg) Log Koa (Koawin est ): 8.997 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000174 Octanol/air (Koa) model: 0.000244 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00626 Mackay model : 0.0138 Octanol/air (Koa) model: 0.0191 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.4769 E-12 cm3/molecule-sec Half-Life = 0.329 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.952 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.01 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 141.6 Log Koc: 2.151 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.978E-015 L/mol-sec Kb Half-Life at pH 8: 5.521E+012 years Kb Half-Life at pH 7: 5.521E+013 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.53 (estimated) Volatilization from Water: Henry LC: 8.35E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.026E+007 hours (4.277E+005 days) Half-Life from Model Lake : 1.12E+008 hours (4.665E+006 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.00114 7.9 1000 Water 44.3 900 1000 Soil 55.6 1.8e+003 1000 Sediment 0.0878 8.1e+003 0 Persistence Time: 1e+003 hr
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