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- Double-bond stereo
N'-[(1E)-1-(4-Chlorophenyl)ethylidene]benzohydrazide
C/C(=N\NC(=O)c1ccccc1)/c2ccc(cc2)Cl
InChI=1S/C15H13ClN2O/c1-11(12-7-9-14(16)10-8-12)17-18-15(19)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)/b17-11+
PMKFHOCRKFYCNI-GZTJUZNOSA-N
CSID:4656708, http://www.chemspider.com/Chemical-Structure.4656708.html (accessed 03:50, Jul 2, 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) = 4.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 434.02 (Adapted Stein & Brown method) Melting Pt (deg C): 167.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.15E-008 (Modified Grain method) Subcooled liquid VP: 1.22E-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): 2.146 log Kow used: 4.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.3319 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.70E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.940E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.58 (KowWin est) Log Kaw used: -7.716 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.296 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5634 Biowin2 (Non-Linear Model) : 0.2534 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4119 (weeks-months) Biowin4 (Primary Survey Model) : 3.2938 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0187 Biowin6 (MITI Non-Linear Model): 0.0114 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2864 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): 0.000163 Pa (1.22E-006 mm Hg) Log Koa (Koawin est ): 12.296 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0184 Octanol/air (Koa) model: 0.485 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.4 Mackay model : 0.596 Octanol/air (Koa) model: 0.975 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.0902 E-12 cm3/molecule-sec Half-Life = 1.177 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.120 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.498 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.979E+004 Log Koc: 4.296 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 = 2.830 (BCF = 675.5) log Kow used: 4.58 (estimated) Volatilization from Water: Henry LC: 4.7E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.057E+006 hours (8.572E+004 days) Half-Life from Model Lake : 2.244E+007 hours (9.351E+005 days) Removal In Wastewater Treatment: Total removal: 60.17 percent Total biodegradation: 0.55 percent Total sludge adsorption: 59.61 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 0.00579 28.2 1000 Water 9.82 900 1000 Soil 81.3 1.8e+003 1000 Sediment 8.83 8.1e+003 0 Persistence Time: 2.01e+003 hr
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