- Double-bond stereo
2-Hydroxy-N'-[(E)-2-naphthylmethylene]benzohydrazide
c1ccc2cc(ccc2c1)/C=N/NC(=O)c3ccccc3O
InChI=1S/C18H14N2O2/c21-17-8-4-3-7-16(17)18(22)20-19-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-12,21H,(H,20,22)/b19-12+
JSZPKHUEXGMRFH-XDHOZWIPSA-N
CSID:4488675, http://www.chemspider.com/Chemical-Structure.4488675.html (accessed 13:20, Mar 29, 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) = 4.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 512.62 (Adapted Stein & Brown method) Melting Pt (deg C): 218.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.38E-011 (Modified Grain method) Subcooled liquid VP: 1.6E-009 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): 12.37 log Kow used: 4.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61.402 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.11E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.262E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.25 (KowWin est) Log Kaw used: -9.602 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.852 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7251 Biowin2 (Non-Linear Model) : 0.4489 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6140 (weeks-months) Biowin4 (Primary Survey Model) : 3.4686 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0067 Biowin6 (MITI Non-Linear Model): 0.0222 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0998 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): 2.13E-007 Pa (1.6E-009 mm Hg) Log Koa (Koawin est ): 13.852 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 14.1 Octanol/air (Koa) model: 17.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 89.2061 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.439 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.357E+005 Log Koc: 5.133 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 = 2.576 (BCF = 376.3) log Kow used: 4.25 (estimated) Volatilization from Water: Henry LC: 6.11E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.633E+008 hours (6.803E+006 days) Half-Life from Model Lake : 1.781E+009 hours (7.421E+007 days) Removal In Wastewater Treatment: Total removal: 42.58 percent Total biodegradation: 0.42 percent Total sludge adsorption: 42.16 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 0.0255 2.88 1000 Water 11.8 900 1000 Soil 83.2 1.8e+003 1000 Sediment 4.99 8.1e+003 0 Persistence Time: 1.67e+003 hr
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