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- Double-bond stereo
(2E)-2-(Hydroxyimino)-N-phenylacetamide
c1ccc(cc1)NC(=O)/C=N/O
InChI=1S/C8H8N2O2/c11-8(6-9-12)10-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b9-6+
UFNDNNCDEFJCHU-RMKNXTFCSA-N
CSID:5259039, http://www.chemspider.com/Chemical-Structure.5259039.html (accessed 05:46, Apr 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.72 (Adapted Stein & Brown method) Melting Pt (deg C): 130.15 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.96E-008 (Modified Grain method) Subcooled liquid VP: 1.01E-006 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): 2454 log Kow used: 1.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12421 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.40E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.887E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.67 (KowWin est) Log Kaw used: -9.519 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.189 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0076 Biowin2 (Non-Linear Model) : 0.9943 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8042 (weeks ) Biowin4 (Primary Survey Model) : 3.8212 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3408 Biowin6 (MITI Non-Linear Model): 0.3043 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1566 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): 0.000135 Pa (1.01E-006 mm Hg) Log Koa (Koawin est ): 11.189 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0223 Octanol/air (Koa) model: 0.0379 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.446 Mackay model : 0.641 Octanol/air (Koa) model: 0.752 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.8715 E-12 cm3/molecule-sec Half-Life = 0.771 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.253 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.543 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 135.8 Log Koc: 2.133 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 = 0.586 (BCF = 3.855) log Kow used: 1.67 (estimated) Volatilization from Water: Henry LC: 7.4E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.014E+008 hours (4.224E+006 days) Half-Life from Model Lake : 1.106E+009 hours (4.608E+007 days) Removal In Wastewater Treatment: Total removal: 2.03 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.94 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 0.000288 18.5 1000 Water 26.9 360 1000 Soil 73 720 1000 Sediment 0.0708 3.24e+003 0 Persistence Time: 671 hr
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