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- Double-bond stereo
2-(4-Chlorophenyl)-N'-[(E)-4-pyridinylmethylene]acetohydrazide
c1cc(ccc1CC(=O)N/N=C/c2ccncc2)Cl
InChI=1S/C14H12ClN3O/c15-13-3-1-11(2-4-13)9-14(19)18-17-10-12-5-7-16-8-6-12/h1-8,10H,9H2,(H,18,19)/b17-10+
LOZBKDDHVYZBMU-LICLKQGHSA-N
CSID:4490914, http://www.chemspider.com/Chemical-Structure.4490914.html (accessed 10:41, Apr 23, 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) = 2.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 442.62 (Adapted Stein & Brown method) Melting Pt (deg C): 185.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.56E-008 (Modified Grain method) Subcooled liquid VP: 7.49E-007 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): 6228 log Kow used: 2.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4416 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.89E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.021E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.04 (KowWin est) Log Kaw used: -11.112 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.152 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3349 Biowin2 (Non-Linear Model) : 0.0188 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0987 (months ) Biowin4 (Primary Survey Model) : 3.2002 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1292 Biowin6 (MITI Non-Linear Model): 0.0070 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2227 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): 9.99E-005 Pa (7.49E-007 mm Hg) Log Koa (Koawin est ): 13.152 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.03 Octanol/air (Koa) model: 3.48 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.52 Mackay model : 0.706 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.6894 E-12 cm3/molecule-sec Half-Life = 1.001 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.007 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.613 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.294E+004 Log Koc: 4.724 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 = 0.874 (BCF = 7.49) log Kow used: 2.04 (estimated) Volatilization from Water: Henry LC: 1.89E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.125E+009 hours (2.135E+008 days) Half-Life from Model Lake : 5.591E+010 hours (2.33E+009 days) Removal In Wastewater Treatment: Total removal: 2.28 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.19 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 3.31e-006 24 1000 Water 22.3 1.44e+003 1000 Soil 77.6 2.88e+003 1000 Sediment 0.0925 1.3e+004 0 Persistence Time: 1.93e+003 hr
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