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- Double-bond stereo
(1E,2E)-Dibenzylidenehydrazine
c1ccc(cc1)/C=N/N=C/c2ccccc2
InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+
CWLGEPSKQDNHIO-JOBJLJCHSA-N
CSID:4482129, http://www.chemspider.com/Chemical-Structure.4482129.html (accessed 12:58, 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) = 4.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 326.36 (Adapted Stein & Brown method) Melting Pt (deg C): 31.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000419 (Modified Grain method) Subcooled liquid VP: 0.000476 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): 5.948 log Kow used: 4.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.181 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.85E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.930E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.48 (KowWin est) Log Kaw used: -2.803 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.283 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9046 Biowin2 (Non-Linear Model) : 0.9747 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7830 (weeks ) Biowin4 (Primary Survey Model) : 3.5570 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1552 Biowin6 (MITI Non-Linear Model): 0.1467 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3843 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): 0.0635 Pa (0.000476 mm Hg) Log Koa (Koawin est ): 7.283 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.73E-005 Octanol/air (Koa) model: 4.71E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0017 Mackay model : 0.00377 Octanol/air (Koa) model: 0.000377 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.1319 E-12 cm3/molecule-sec Half-Life = 0.815 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.774 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00274 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.085E+004 Log Koc: 4.850 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 = 2.748 (BCF = 559.6) log Kow used: 4.48 (estimated) Volatilization from Water: Henry LC: 3.85E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 23.42 hours Half-Life from Model Lake : 376.5 hours (15.69 days) Removal In Wastewater Treatment: Total removal: 55.54 percent Total biodegradation: 0.51 percent Total sludge adsorption: 54.16 percent Total to Air: 0.87 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.62 19.5 1000 Water 20.5 360 1000 Soil 70.4 720 1000 Sediment 7.49 3.24e+003 0 Persistence Time: 493 hr
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