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- Double-bond stereo
Methyl 2-{[(2Z)-2-(hydroxyimino)acetyl]amino}benzoate
COC(=O)c1ccccc1NC(=O)/C=N\O
InChI=1S/C10H10N2O4/c1-16-10(14)7-4-2-3-5-8(7)12-9(13)6-11-15/h2-6,15H,1H3,(H,12,13)/b11-6-
QAVYRCRPJGELDP-WDZFZDKYSA-N
CSID:4912396, http://www.chemspider.com/Chemical-Structure.4912396.html (accessed 05:16, Jul 24, 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) = 2.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 424.10 (Adapted Stein & Brown method) Melting Pt (deg C): 163.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.35E-009 (Modified Grain method) Subcooled liquid VP: 3.6E-008 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): 367.1 log Kow used: 2.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 25168 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.77E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.075E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.30 (KowWin est) Log Kaw used: -11.710 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.010 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0261 Biowin2 (Non-Linear Model) : 0.9987 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7941 (weeks ) Biowin4 (Primary Survey Model) : 3.9615 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5041 Biowin6 (MITI Non-Linear Model): 0.4609 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1871 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): 4.8E-006 Pa (3.6E-008 mm Hg) Log Koa (Koawin est ): 14.010 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.625 Octanol/air (Koa) model: 25.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.958 Mackay model : 0.98 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.6617 E-12 cm3/molecule-sec Half-Life = 1.889 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.670 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.969 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 64.96 Log Koc: 1.813 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.998E-002 L/mol-sec Kb Half-Life at pH 8: 200.670 days Kb Half-Life at pH 7: 5.494 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.068 (BCF = 11.68) log Kow used: 2.30 (estimated) Volatilization from Water: Henry LC: 4.77E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.83E+010 hours (7.624E+008 days) Half-Life from Model Lake : 1.996E+011 hours (8.317E+009 days) Removal In Wastewater Treatment: Total removal: 2.64 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.54 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 2.58e-005 45.3 1000 Water 20 360 1000 Soil 79.9 720 1000 Sediment 0.103 3.24e+003 0 Persistence Time: 739 hr
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