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- Double-bond stereo
N'~1~,N'~4~-Bis[(E)-(2-hydroxyphenyl)methylene]succinohydrazide
c1cc(c(cc1)O)/C=N/NC(=O)CCC(=O)N/N=C/c2c(cccc2)O
InChI=1S/C18H18N4O4/c23-15-7-3-1-5-13(15)11-19-21-17(25)9-10-18(26)22-20-12-14-6-2-4-8-16(14)24/h1-8,11-12,23-24H,9-10H2,(H,21,25)(H,22,26)/b19-11+,20-12+
IKQDBMRHCBEHHH-AYKLPDECSA-N
CSID:12234649, http://www.chemspider.com/Chemical-Structure.12234649.html (accessed 19:20, May 9, 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) = 1.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 636.00 (Adapted Stein & Brown method) Melting Pt (deg C): 276.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.23E-017 (Modified Grain method) Subcooled liquid VP: 4.84E-014 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): 528.3 log Kow used: 1.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.7012e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.80E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.264E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.90 (KowWin est) Log Kaw used: -19.133 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.033 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8105 Biowin2 (Non-Linear Model) : 0.4486 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5288 (weeks-months) Biowin4 (Primary Survey Model) : 3.4159 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0686 Biowin6 (MITI Non-Linear Model): 0.0123 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3522 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): 6.45E-012 Pa (4.84E-014 mm Hg) Log Koa (Koawin est ): 21.033 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.65E+005 Octanol/air (Koa) model: 2.65E+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 = 100.8342 E-12 cm3/molecule-sec Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.273 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 : 4.771E+005 Log Koc: 5.679 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 = 0.763 (BCF = 5.796) log Kow used: 1.90 (estimated) Volatilization from Water: Henry LC: 1.8E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.123E+017 hours (2.551E+016 days) Half-Life from Model Lake : 6.68E+018 hours (2.783E+017 days) Removal In Wastewater Treatment: Total removal: 2.16 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.07 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 6.43e-007 2.55 1000 Water 24.9 900 1000 Soil 75 1.8e+003 1000 Sediment 0.0861 8.1e+003 0 Persistence Time: 1.37e+003 hr
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