Try beta.chemspider
- Double-bond stereo
(2E)-2-(Hydroxyimino)propanoic acid
C/C(=N\O)/C(=O)O
InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+
MVGBKLTYYAYYGY-DUXPYHPUSA-N
CSID:4925178, http://www.chemspider.com/Chemical-Structure.4925178.html (accessed 15:29, 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) = 2.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 256.48 (Adapted Stein & Brown method) Melting Pt (deg C): 45.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00137 (Modified Grain method) Subcooled liquid VP: 0.00211 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): 4897 log Kow used: 2.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.6028e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.72E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.794E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.07 (KowWin est) Log Kaw used: -7.448 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.518 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7712 Biowin2 (Non-Linear Model) : 0.8992 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3360 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0846 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5871 Biowin6 (MITI Non-Linear Model): 0.6691 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9433 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): 0.281 Pa (0.00211 mm Hg) Log Koa (Koawin est ): 9.518 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.07E-005 Octanol/air (Koa) model: 0.000809 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000385 Mackay model : 0.000852 Octanol/air (Koa) model: 0.0608 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.6873 E-12 cm3/molecule-sec Half-Life = 15.563 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000619 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.661 Log Koc: 0.564 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: 2.07 (estimated) Volatilization from Water: Henry LC: 8.72E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.817E+005 hours (2.84E+004 days) Half-Life from Model Lake : 7.437E+006 hours (3.099E+005 days) Removal In Wastewater Treatment: Total removal: 2.31 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.22 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 0.0267 373 1000 Water 22.2 208 1000 Soil 77.7 416 1000 Sediment 0.0762 1.87e+003 0 Persistence Time: 443 hr
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