Try beta.chemspider
[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)oxy]acetic acid
CC(C)(C)OC(=O)NOCC(=O)O
InChI=1S/C7H13NO5/c1-7(2,3)13-6(11)8-12-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
QBXODCKYUZNZCY-UHFFFAOYSA-N
CSID:2036741, http://www.chemspider.com/Chemical-Structure.2036741.html (accessed 06:09, May 5, 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) = 0.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 296.70 (Adapted Stein & Brown method) Melting Pt (deg C): 88.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000568 (Modified Grain method) Subcooled liquid VP: 0.00232 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): 2.461e+004 log Kow used: 0.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6709e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.13E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.806E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.81 (KowWin est) Log Kaw used: -9.893 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.703 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5453 Biowin2 (Non-Linear Model) : 0.3130 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9292 (weeks ) Biowin4 (Primary Survey Model) : 3.8040 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4428 Biowin6 (MITI Non-Linear Model): 0.2744 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4759 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): 0.309 Pa (0.00232 mm Hg) Log Koa (Koawin est ): 10.703 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.7E-006 Octanol/air (Koa) model: 0.0124 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00035 Mackay model : 0.000775 Octanol/air (Koa) model: 0.498 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.8479 E-12 cm3/molecule-sec Half-Life = 2.780 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 33.356 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000563 (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 : 7.173E-002 L/mol-sec Kb Half-Life at pH 8: 111.836 days Kb Half-Life at pH 7: 3.062 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.81 (estimated) Volatilization from Water: Henry LC: 3.13E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.586E+008 hours (1.078E+007 days) Half-Life from Model Lake : 2.822E+009 hours (1.176E+008 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 7.12e-005 66.7 1000 Water 35.9 360 1000 Soil 64 720 1000 Sediment 0.0698 3.24e+003 0 Persistence Time: 600 hr
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