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1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)cyclobutanecarboxylic acid
CC(C)(C)OC(=O)NC1(CCC1)C(=O)O
InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
ROVVUKFHORPDSM-UHFFFAOYSA-N
CSID:1245155, http://www.chemspider.com/Chemical-Structure.1245155.html (accessed 21:04, Apr 26, 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) = 1.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 320.64 (Adapted Stein & Brown method) Melting Pt (deg C): 111.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.1E-005 (Modified Grain method) Subcooled liquid VP: 0.000648 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): 2517 log Kow used: 1.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 50903 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.11E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.024E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.82 (KowWin est) Log Kaw used: -8.896 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.716 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4294 Biowin2 (Non-Linear Model) : 0.1368 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6171 (weeks-months) Biowin4 (Primary Survey Model) : 3.8095 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4051 Biowin6 (MITI Non-Linear Model): 0.3615 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2444 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): 0.0864 Pa (0.000648 mm Hg) Log Koa (Koawin est ): 10.716 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.47E-005 Octanol/air (Koa) model: 0.0128 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00125 Mackay model : 0.00277 Octanol/air (Koa) model: 0.505 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.9088 E-12 cm3/molecule-sec Half-Life = 2.179 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.147 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00201 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.928E-006 L/mol-sec Kb Half-Life at pH 8: 4456.481 years Kb Half-Life at pH 7: 4.456E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 1.82 (estimated) Volatilization from Water: Henry LC: 3.11E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.762E+007 hours (1.151E+006 days) Half-Life from Model Lake : 3.013E+008 hours (1.255E+007 days) Removal In Wastewater Treatment: Total removal: 2.11 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.02 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 0.000319 52.3 1000 Water 26.5 900 1000 Soil 73.4 1.8e+003 1000 Sediment 0.0846 8.1e+003 0 Persistence Time: 1.33e+003 hr
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