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- Double-bond stereo
N'~1~,N'~4~-Bis[(Z)-(4-methoxyphenyl)methylene]succinohydrazide
COc1ccc(cc1)/C=N\NC(=O)CCC(=O)N/N=C\c2ccc(cc2)OC
InChI=1S/C20H22N4O4/c1-27-17-7-3-15(4-8-17)13-21-23-19(25)11-12-20(26)24-22-14-16-5-9-18(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)/b21-13-,22-14-
QFWRSXSKGIWAFC-JZTLMNBPSA-N
CSID:4610824, http://www.chemspider.com/Chemical-Structure.4610824.html (accessed 05:48, Jun 1, 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) = 1.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 613.64 (Adapted Stein & Brown method) Melting Pt (deg C): 265.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.44E-014 (Modified Grain method) Subcooled liquid VP: 3.24E-011 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): 175 log Kow used: 1.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 247.47 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.83E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.139E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.58 (KowWin est) Log Kaw used: -13.623 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.203 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8293 Biowin2 (Non-Linear Model) : 0.8884 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2378 (months ) Biowin4 (Primary Survey Model) : 3.4502 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1108 Biowin6 (MITI Non-Linear Model): 0.0297 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3877 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): 4.32E-009 Pa (3.24E-011 mm Hg) Log Koa (Koawin est ): 15.203 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 694 Octanol/air (Koa) model: 392 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 73.7578 E-12 cm3/molecule-sec Half-Life = 0.145 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.740 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.843E+004 Log Koc: 4.947 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 = 0.518 (BCF = 3.299) log Kow used: 1.58 (estimated) Volatilization from Water: Henry LC: 5.83E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.964E+012 hours (8.183E+010 days) Half-Life from Model Lake : 2.142E+013 hours (8.927E+011 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 0.000259 3.48 1000 Water 32.8 1.44e+003 1000 Soil 67.1 2.88e+003 1000 Sediment 0.0885 1.3e+004 0 Persistence Time: 1.54e+003 hr
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