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2-Methyl-2-propanyl 3-vinyl-1-azetidinecarboxylate
CC(C)(C)OC(=O)N1CC(C1)C=C
InChI=1S/C10H17NO2/c1-5-8-6-11(7-8)9(12)13-10(2,3)4/h5,8H,1,6-7H2,2-4H3
YASOUSGMWNLROI-UHFFFAOYSA-N
CSID:19833746, http://www.chemspider.com/Chemical-Structure.19833746.html (accessed 08:13, Jun 17, 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) = 2.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 217.57 (Adapted Stein & Brown method) Melting Pt (deg C): 28.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.128 (Modified Grain method) Subcooled liquid VP: 0.138 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): 184.8 log Kow used: 2.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 662.01 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.43E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.670E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.88 (KowWin est) Log Kaw used: -4.853 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.733 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5559 Biowin2 (Non-Linear Model) : 0.4238 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5354 (weeks-months) Biowin4 (Primary Survey Model) : 3.6235 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2628 Biowin6 (MITI Non-Linear Model): 0.1886 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1580 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): 18.4 Pa (0.138 mm Hg) Log Koa (Koawin est ): 7.733 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.63E-007 Octanol/air (Koa) model: 1.33E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.89E-006 Mackay model : 1.3E-005 Octanol/air (Koa) model: 0.00106 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.1487 E-12 cm3/molecule-sec Half-Life = 0.304 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.652 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 9.47E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 315.1 Log Koc: 2.498 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.497E-017 L/mol-sec Kb Half-Life at pH 8: 4.884E+014 years Kb Half-Life at pH 7: 4.884E+015 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.516 (BCF = 32.84) log Kow used: 2.88 (estimated) Volatilization from Water: Henry LC: 3.43E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2312 hours (96.34 days) Half-Life from Model Lake : 2.534E+004 hours (1056 days) Removal In Wastewater Treatment: Total removal: 4.81 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.67 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.228 5.54 1000 Water 19.7 900 1000 Soil 79.7 1.8e+003 1000 Sediment 0.345 8.1e+003 0 Persistence Time: 1.04e+003 hr
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