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- Double-bond stereo
2-Methoxy-N'-[(E)-(2-methoxyphenyl)methylene]benzohydrazide
O=C(c1ccccc1OC)N/N=C/c2ccccc2OC
InChI=1S/C16H16N2O3/c1-20-14-9-5-3-7-12(14)11-17-18-16(19)13-8-4-6-10-15(13)21-2/h3-11H,1-2H3,(H,18,19)/b17-11+
CACILLJLVMDISL-GZTJUZNOSA-N
CSID:7879729, http://www.chemspider.com/Chemical-Structure.7879729.html (accessed 04:17, Jul 6, 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) = 2.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 454.19 (Adapted Stein & Brown method) Melting Pt (deg C): 187.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.76E-009 (Modified Grain method) Subcooled liquid VP: 3.87E-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): 133 log Kow used: 2.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 26.439 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.67E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.183E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.41 (KowWin est) Log Kaw used: -10.166 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.576 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8760 Biowin2 (Non-Linear Model) : 0.9698 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4546 (weeks-months) Biowin4 (Primary Survey Model) : 3.5918 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3136 Biowin6 (MITI Non-Linear Model): 0.1450 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3026 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): 5.16E-005 Pa (3.87E-007 mm Hg) Log Koa (Koawin est ): 12.576 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0581 Octanol/air (Koa) model: 0.925 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.677 Mackay model : 0.823 Octanol/air (Koa) model: 0.987 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.5794 E-12 cm3/molecule-sec Half-Life = 0.196 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.352 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.75 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3902 Log Koc: 3.591 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 = 1.154 (BCF = 14.26) log Kow used: 2.41 (estimated) Volatilization from Water: Henry LC: 1.67E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.912E+008 hours (2.463E+007 days) Half-Life from Model Lake : 6.449E+009 hours (2.687E+008 days) Removal In Wastewater Treatment: Total removal: 2.86 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.76 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 5.47e-005 4.7 1000 Water 17 900 1000 Soil 82.9 1.8e+003 1000 Sediment 0.119 8.1e+003 0 Persistence Time: 1.61e+003 hr
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