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2-Methyl-2-propanyl 1-oxa-5-azaspiro[2.5]octane-5-carboxylate
CC(C)(C)OC(=O)N1CCCC2(C1)CO2
InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-5-11(7-12)8-14-11/h4-8H2,1-3H3
RZXGVMMKJKHHAN-UHFFFAOYSA-N
CSID:11568516, http://www.chemspider.com/Chemical-Structure.11568516.html (accessed 03:01, Apr 24, 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) = 2.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 260.27 (Adapted Stein & Brown method) Melting Pt (deg C): 63.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00677 (Modified Grain method) Subcooled liquid VP: 0.0157 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): 601.7 log Kow used: 2.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9194.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.51E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.158E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.10 (KowWin est) Log Kaw used: -7.513 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.613 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0103 Biowin2 (Non-Linear Model) : 0.0028 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2482 (months ) Biowin4 (Primary Survey Model) : 3.4170 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2707 Biowin6 (MITI Non-Linear Model): 0.2174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9284 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): 2.09 Pa (0.0157 mm Hg) Log Koa (Koawin est ): 9.613 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.43E-006 Octanol/air (Koa) model: 0.00101 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.18E-005 Mackay model : 0.000115 Octanol/air (Koa) model: 0.0745 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.1682 E-12 cm3/molecule-sec Half-Life = 0.254 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.044 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.32E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 57.07 Log Koc: 1.756 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.522E-017 L/mol-sec Kb Half-Life at pH 8: 8.709E+014 years Kb Half-Life at pH 7: 8.709E+015 years Total Ka (acid-catalyzed) at 25 deg C : 3.338E-002 L/mol-sec Ka Half-Life at pH 7: 6.581 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.917 (BCF = 8.252) log Kow used: 2.10 (estimated) Volatilization from Water: Henry LC: 7.51E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.139E+006 hours (4.744E+004 days) Half-Life from Model Lake : 1.242E+007 hours (5.175E+005 days) Removal In Wastewater Treatment: Total removal: 2.35 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.25 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 0.00504 6.09 1000 Water 21.2 1.44e+003 1000 Soil 78.7 2.88e+003 1000 Sediment 0.0951 1.3e+004 0 Persistence Time: 1.96e+003 hr
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