- Double-bond stereo
N'-[(E)-(3,4-Dihydroxyphenyl)methylene]-3-hydroxy-2-naphthohydrazide
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c3ccc(c(c3)O)O)O CopyCopied
InChI=1S/C18H14N2O4/c21-15-6-5-11(7-17(15)23)10-19-20-18(24)14-8-12-3-1-2-4-13(12)9-16(14)22/h1-10,21-23H,(H,20,24)/b19-10+ CopyCopied
SYNDQCRDGGCQRZ-VXLYETTFSA-N CopyCopied
CSID:12549134, http://www.chemspider.com/Chemical-Structure.12549134.html (accessed 12:51, Jan 21, 2018) CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 582.29 (Adapted Stein & Brown method) Melting Pt (deg C): 251.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.19E-015 (Modified Grain method) Subcooled liquid VP: 2.07E-012 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): 53.09 log Kow used: 3.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 246.22 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.62E-020 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.744E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.29 (KowWin est) Log Kaw used: -17.568 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.858 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9415 Biowin2 (Non-Linear Model) : 0.7609 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6560 (weeks-months) Biowin4 (Primary Survey Model) : 3.5018 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0101 Biowin6 (MITI Non-Linear Model): 0.0185 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2525 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): 2.76E-010 Pa (2.07E-012 mm Hg) Log Koa (Koawin est ): 20.858 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.09E+004 Octanol/air (Koa) model: 1.77E+008 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 = 108.2214 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.186 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! 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 : 3.634E+005 Log Koc: 5.560 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 = 1.836 (BCF = 68.56) log Kow used: 3.29 (estimated) Volatilization from Water: Henry LC: 6.62E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.588E+016 hours (6.616E+014 days) Half-Life from Model Lake : 1.732E+017 hours (7.217E+015 days) Removal In Wastewater Treatment: Total removal: 9.07 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.91 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 3.61e-007 2.37 1000 Water 12 900 1000 Soil 87.5 1.8e+003 1000 Sediment 0.53 8.1e+003 0 Persistence Time: 1.82e+003 hr
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