- Double-bond stereo
5-[(2-Chlorophenoxy)methyl]-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylene]-2-furohydrazide
CCOc1ccc(cc1OC)/C=N/NC(=O)c2ccc(o2)COc3ccccc3Cl
InChI=1S/C22H21ClN2O5/c1-3-28-19-10-8-15(12-21(19)27-2)13-24-25-22(26)20-11-9-16(30-20)14-29-18-7-5-4-6-17(18)23/h4-13H,3,14H2,1-2H3,(H,25,26)/b24-13+
MOAFMLSCAOTGCV-ZMOGYAJESA-N
CSID:5266645, http://www.chemspider.com/Chemical-Structure.5266645.html (accessed 23:25, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 572.15 (Adapted Stein & Brown method) Melting Pt (deg C): 246.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.55E-012 (Modified Grain method) Subcooled liquid VP: 3.91E-010 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): 0.3066 log Kow used: 4.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.044458 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.84E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.853E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.47 (KowWin est) Log Kaw used: -12.494 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.964 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7567 Biowin2 (Non-Linear Model) : 0.8386 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8705 (months ) Biowin4 (Primary Survey Model) : 3.2950 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0868 Biowin6 (MITI Non-Linear Model): 0.0119 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0016 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): 5.21E-008 Pa (3.91E-010 mm Hg) Log Koa (Koawin est ): 16.964 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 57.5 Octanol/air (Koa) model: 2.26E+004 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 = 162.2888 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.791 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 : 7.956E+005 Log Koc: 5.901 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 = 2.744 (BCF = 554.4) log Kow used: 4.47 (estimated) Volatilization from Water: Henry LC: 7.84E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.547E+011 hours (6.444E+009 days) Half-Life from Model Lake : 1.687E+012 hours (7.03E+010 days) Removal In Wastewater Treatment: Total removal: 54.44 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.93 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 0.00013 1.58 1000 Water 7.75 1.44e+003 1000 Soil 85.1 2.88e+003 1000 Sediment 7.14 1.3e+004 0 Persistence Time: 3.07e+003 hr
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