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1-(Aminooxy)ethanone
CC(=O)ON
InChI=1S/C2H5NO2/c1-2(4)5-3/h3H2,1H3
GRKUXCWELVWVMZ-UHFFFAOYSA-N
CSID:154203, http://www.chemspider.com/Chemical-Structure.154203.html (accessed 15:35, Jul 27, 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) = -1.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 93.91 (Adapted Stein & Brown method) Melting Pt (deg C): -47.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 48.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.50E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.801E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.35 (KowWin est) Log Kaw used: -4.735 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.385 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7118 Biowin2 (Non-Linear Model) : 0.8747 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0333 (weeks ) Biowin4 (Primary Survey Model) : 3.7394 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4892 Biowin6 (MITI Non-Linear Model): 0.5934 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 6.19E+003 Pa (46.4 mm Hg) Log Koa (Koawin est ): 3.385 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.85E-010 Octanol/air (Koa) model: 5.96E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.75E-008 Mackay model : 3.88E-008 Octanol/air (Koa) model: 4.77E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.0422 E-12 cm3/molecule-sec Half-Life = 0.508 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.100 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.82E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.272 Log Koc: 0.631 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.910E+000 L/mol-sec Kb Half-Life at pH 8: 1.634 days Kb Half-Life at pH 7: 16.337 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.35 (estimated) Volatilization from Water: Henry LC: 4.5E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1128 hours (47.01 days) Half-Life from Model Lake : 1.238E+004 hours (515.8 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.39 12.2 1000 Water 46.9 360 1000 Soil 51.6 720 1000 Sediment 0.0859 3.24e+003 0 Persistence Time: 358 hr
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