Try beta.chemspider
(1E)-N-Hydroxyethanimine
C/C=N/O
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3
FZENGILVLUJGJX-UHFFFAOYSA-N
CSID:7575, http://www.chemspider.com/Chemical-Structure.7575.html (accessed 16:32, May 21, 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) = -0.21 Log Kow (Exper. database match) = -0.13 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 118.18 (Adapted Stein & Brown method) Melting Pt (deg C): -73.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.55 (Modified Grain method) MP (exp database): 45 deg C BP (exp database): 115 deg C Subcooled liquid VP: 8.44 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): 1.772e+005 log Kow used: -0.13 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 32807 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.88E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.434E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.13 (exp database) Log Kaw used: -3.619 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.489 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7194 Biowin2 (Non-Linear Model) : 0.8975 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0686 (weeks ) Biowin4 (Primary Survey Model) : 3.7625 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4862 Biowin6 (MITI Non-Linear Model): 0.6770 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5907 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): 1.13E+003 Pa (8.44 mm Hg) Log Koa (Koawin est ): 3.489 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.67E-009 Octanol/air (Koa) model: 7.57E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.63E-008 Mackay model : 2.13E-007 Octanol/air (Koa) model: 6.05E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.1073 E-12 cm3/molecule-sec Half-Life = 5.076 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 60.909 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.55E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 43.79 Log Koc: 1.641 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.13 (expkow database) Volatilization from Water: Henry LC: 5.88E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 77.31 hours (3.221 days) Half-Life from Model Lake : 907.9 hours (37.83 days) Removal In Wastewater Treatment: Total removal: 2.18 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.38 117 1000 Water 45.6 360 1000 Soil 47.9 720 1000 Sediment 0.084 3.24e+003 0 Persistence Time: 355 hr
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