Try beta.chemspider
- Double-bond stereo
N'~1~,N'~2~-Bis[(E)-(2-hydroxyphenyl)methylene]ethanedihydrazide
c1cc(c(cc1)O)/C=N/NC(=O)C(=O)N/N=C/c2c(cccc2)O
InChI=1S/C16H14N4O4/c21-13-7-3-1-5-11(13)9-17-19-15(23)16(24)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+
PUMOTLVCXKMSQH-BEQMOXJMSA-N
CSID:10852942, http://www.chemspider.com/Chemical-Structure.10852942.html (accessed 01:26, Jul 8, 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) = 2.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 612.79 (Adapted Stein & Brown method) Melting Pt (deg C): 265.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.73E-016 (Modified Grain method) Subcooled liquid VP: 2.47E-013 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): 507.5 log Kow used: 2.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.04E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.848E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.12 (KowWin est) Log Kaw used: -18.483 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.603 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8238 Biowin2 (Non-Linear Model) : 0.5479 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5908 (weeks-months) Biowin4 (Primary Survey Model) : 3.4563 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0840 Biowin6 (MITI Non-Linear Model): 0.0118 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3003 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): 3.29E-011 Pa (2.47E-013 mm Hg) Log Koa (Koawin est ): 20.603 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.11E+004 Octanol/air (Koa) model: 9.84E+007 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 = 95.3703 E-12 cm3/molecule-sec Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.346 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 : 2.389E+004 Log Koc: 4.378 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 = 0.931 (BCF = 8.525) log Kow used: 2.12 (estimated) Volatilization from Water: Henry LC: 8.04E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.315E+017 hours (5.481E+015 days) Half-Life from Model Lake : 1.435E+018 hours (5.979E+016 days) Removal In Wastewater Treatment: Total removal: 2.37 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.27 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 4.89e-007 2.69 1000 Water 21 900 1000 Soil 78.9 1.8e+003 1000 Sediment 0.094 8.1e+003 0 Persistence Time: 1.48e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight