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- Double-bond stereo
(2E)-2-(4-Chlorobenzylidene)-N'-[(E)-(4-chlorophenyl)methylene]hydrazinecarboximidohydrazide
c1c(ccc(c1)Cl)/C=N/NC(=N)N/N=C/c2ccc(cc2)Cl
InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+
MOOFYEJFXBSZGE-LQGKIZFRSA-N
CSID:7844905, http://www.chemspider.com/Chemical-Structure.7844905.html (accessed 18:21, Apr 25, 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) = 3.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 442.52 (Adapted Stein & Brown method) Melting Pt (deg C): 167.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.52E-008 (Modified Grain method) Subcooled liquid VP: 7.53E-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): 4.156 log Kow used: 3.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 87.807 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.99E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.666E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.83 (KowWin est) Log Kaw used: -10.611 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.441 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2236 Biowin2 (Non-Linear Model) : 0.0031 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0474 (months ) Biowin4 (Primary Survey Model) : 3.0349 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2236 Biowin6 (MITI Non-Linear Model): 0.0023 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6657 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): 0.0001 Pa (7.53E-007 mm Hg) Log Koa (Koawin est ): 14.441 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0299 Octanol/air (Koa) model: 67.8 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.519 Mackay model : 0.705 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 91.1812 E-12 cm3/molecule-sec Half-Life = 0.117 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.408 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.612 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.066E+006 Log Koc: 6.028 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 = 2.247 (BCF = 176.5) log Kow used: 3.83 (estimated) Volatilization from Water: Henry LC: 5.99E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.787E+009 hours (7.445E+007 days) Half-Life from Model Lake : 1.949E+010 hours (8.122E+008 days) Removal In Wastewater Treatment: Total removal: 22.95 percent Total biodegradation: 0.26 percent Total sludge adsorption: 22.69 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 6.72e-006 2.82 1000 Water 8.71 1.44e+003 1000 Soil 89.6 2.88e+003 1000 Sediment 1.72 1.3e+004 0 Persistence Time: 2.89e+003 hr
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