Try beta.chemspider
Methyl (aminooxy)acetate
COC(=O)CON
InChI=1S/C3H7NO3/c1-6-3(5)2-7-4/h2,4H2,1H3
DDNYYGSSEPOGRP-UHFFFAOYSA-N
CSID:20865, http://www.chemspider.com/Chemical-Structure.20865.html (accessed 21:48, Apr 23, 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) = -0.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 141.48 (Adapted Stein & Brown method) Melting Pt (deg C): -16.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.94 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.155e+005 log Kow used: -0.86 (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: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.73E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.334E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.86 (KowWin est) Log Kaw used: -5.817 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.957 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8717 Biowin2 (Non-Linear Model) : 0.9963 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1071 (weeks ) Biowin4 (Primary Survey Model) : 3.9251 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7930 Biowin6 (MITI Non-Linear Model): 0.9158 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9544 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 728 Pa (5.46 mm Hg) Log Koa (Koawin est ): 4.957 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.12E-009 Octanol/air (Koa) model: 2.22E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.49E-007 Mackay model : 3.3E-007 Octanol/air (Koa) model: 1.78E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.2697 E-12 cm3/molecule-sec Half-Life = 0.503 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.034 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.39E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.85 Log Koc: 1.074 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.678E+002 L/mol-sec Kb Half-Life at pH 8: 20.344 minutes Kb Half-Life at pH 7: 3.391 hours Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.86 (estimated) Volatilization from Water: Henry LC: 3.73E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.609E+004 hours (670.5 days) Half-Life from Model Lake : 1.756E+005 hours (7318 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.56 12.1 1000 Water 42.2 360 1000 Soil 57.2 720 1000 Sediment 0.0773 3.24e+003 0 Persistence Time: 462 hr
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