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2-Methyl-2-propanyl 2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CC(C)(C)OC(=O)N1CCC2(CC1)CCOC2
InChI=1S/C13H23NO3/c1-12(2,3)17-11(15)14-7-4-13(5-8-14)6-9-16-10-13/h4-10H2,1-3H3
JHFMRJOXVOCJJQ-UHFFFAOYSA-N
CSID:10711159, http://www.chemspider.com/Chemical-Structure.10711159.html (accessed 21:46, Jun 15, 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) = 3.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 295.14 (Adapted Stein & Brown method) Melting Pt (deg C): 83.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000702 (Modified Grain method) Subcooled liquid VP: 0.00253 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): 61.66 log Kow used: 3.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2267.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.27E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.615E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.08 (KowWin est) Log Kaw used: -7.667 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.747 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0030 Biowin2 (Non-Linear Model) : 0.0019 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1862 (months ) Biowin4 (Primary Survey Model) : 3.3766 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2267 Biowin6 (MITI Non-Linear Model): 0.1655 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1684 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): 0.337 Pa (0.00253 mm Hg) Log Koa (Koawin est ): 10.747 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.89E-006 Octanol/air (Koa) model: 0.0137 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000321 Mackay model : 0.000711 Octanol/air (Koa) model: 0.523 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.8036 E-12 cm3/molecule-sec Half-Life = 0.307 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.688 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000516 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 194.1 Log Koc: 2.288 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 = 1.673 (BCF = 47.08) log Kow used: 3.08 (estimated) Volatilization from Water: Henry LC: 5.27E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.726E+006 hours (7.191E+004 days) Half-Life from Model Lake : 1.883E+007 hours (7.845E+005 days) Removal In Wastewater Treatment: Total removal: 6.43 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.30 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 0.00262 7.38 1000 Water 10.4 1.44e+003 1000 Soil 89.3 2.88e+003 1000 Sediment 0.316 1.3e+004 0 Persistence Time: 2.69e+003 hr
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