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- Double-bond stereo
N'-[(E)-Phenylmethylene]isonicotinohydrazide
c1ccc(cc1)/C=N/NC(=O)c2ccncc2
InChI=1S/C13H11N3O/c17-13(12-6-8-14-9-7-12)16-15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+
UFMAHOLDSCSFMC-XNTDXEJSSA-N
CSID:5264532, http://www.chemspider.com/Chemical-Structure.5264532.html (accessed 14:47, 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
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) = 1.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 412.32 (Adapted Stein & Brown method) Melting Pt (deg C): 161.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.66E-007 (Modified Grain method) Subcooled liquid VP: 4.16E-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): 1408 log Kow used: 1.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17270 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.26E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.494E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.59 (KowWin est) Log Kaw used: -10.592 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.182 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6138 Biowin2 (Non-Linear Model) : 0.4928 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5092 (weeks-months) Biowin4 (Primary Survey Model) : 3.5089 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0727 Biowin6 (MITI Non-Linear Model): 0.0434 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8695 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): 0.000555 Pa (4.16E-006 mm Hg) Log Koa (Koawin est ): 12.182 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00541 Octanol/air (Koa) model: 0.373 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.163 Mackay model : 0.302 Octanol/air (Koa) model: 0.968 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.4032 E-12 cm3/molecule-sec Half-Life = 0.862 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.348 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.233 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7391 Log Koc: 3.869 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 = 0.526 (BCF = 3.36) log Kow used: 1.59 (estimated) Volatilization from Water: Henry LC: 6.26E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.404E+009 hours (5.849E+007 days) Half-Life from Model Lake : 1.531E+010 hours (6.38E+008 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.91 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 8.66e-006 20.7 1000 Water 31.1 900 1000 Soil 68.8 1.8e+003 1000 Sediment 0.083 8.1e+003 0 Persistence Time: 1.23e+003 hr
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