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- Double-bond stereo
2,4-Dichloro-N'-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylene]benzohydrazide
c1cc(c(cc1Cl)Cl)C(=O)N/N=C/c2cc(cc(c2O)Cl)Cl
InChI=1S/C14H8Cl4N2O2/c15-8-1-2-10(11(17)4-8)14(22)20-19-6-7-3-9(16)5-12(18)13(7)21/h1-6,21H,(H,20,22)/b19-6+
YRBAOCIWAWRHOC-KPSZGOFPSA-N
CSID:12624817, http://www.chemspider.com/Chemical-Structure.12624817.html (accessed 18:56, May 17, 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) = 4.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 516.50 (Adapted Stein & Brown method) Melting Pt (deg C): 220.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.03E-011 (Modified Grain method) Subcooled liquid VP: 1.25E-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): 1.116 log Kow used: 4.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.7072 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.591E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.86 (KowWin est) Log Kaw used: -12.212 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.072 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0463 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5937 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6806 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2923 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1363 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): 1.67E-007 Pa (1.25E-009 mm Hg) Log Koa (Koawin est ): 17.072 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 18 Octanol/air (Koa) model: 2.9E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.0355 E-12 cm3/molecule-sec Half-Life = 1.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.790 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 : 8.762E+004 Log Koc: 4.943 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 = 2.645 (BCF = 441.7) log Kow used: 4.86 (estimated) Volatilization from Water: Henry LC: 1.5E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.589E+010 hours (3.162E+009 days) Half-Life from Model Lake : 8.279E+011 hours (3.45E+010 days) Removal In Wastewater Treatment: Total removal: 72.78 percent Total biodegradation: 0.64 percent Total sludge adsorption: 72.13 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 2.29e-005 25.6 1000 Water 3.13 4.32e+003 1000 Soil 85.8 8.64e+003 1000 Sediment 11.1 3.89e+004 0 Persistence Time: 9.15e+003 hr
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