- Double-bond stereo
2,4-Dichloro-N'-[(2E)-3-phenyl-2-propenoyl]benzohydrazide
c1ccc(cc1)/C=C/C(=O)NNC(=O)c2ccc(cc2Cl)Cl
InChI=1S/C16H12Cl2N2O2/c17-12-7-8-13(14(18)10-12)16(22)20-19-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H,19,21)(H,20,22)/b9-6+
AVONGFNKGYRPLZ-RMKNXTFCSA-N
CSID:593248, http://www.chemspider.com/Chemical-Structure.593248.html (accessed 05:27, Apr 20, 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) = 2.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 550.50 (Adapted Stein & Brown method) Melting Pt (deg C): 236.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.45E-012 (Modified Grain method) Subcooled liquid VP: 1.41E-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): 27.73 log Kow used: 2.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 286.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.16E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.185E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.85 (KowWin est) Log Kaw used: -10.599 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.449 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3512 Biowin2 (Non-Linear Model) : 0.0183 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0673 (months ) Biowin4 (Primary Survey Model) : 3.0383 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5676 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6608 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): 1.88E-007 Pa (1.41E-009 mm Hg) Log Koa (Koawin est ): 13.449 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 16 Octanol/air (Koa) model: 6.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.4527 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 36.1127 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 3.837 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 3.554 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-] Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer] 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 : 1.684E+004 Log Koc: 4.226 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 = 1.498 (BCF = 31.5) log Kow used: 2.85 (estimated) Volatilization from Water: Henry LC: 6.16E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.74E+009 hours (7.25E+007 days) Half-Life from Model Lake : 1.898E+010 hours (7.91E+008 days) Removal In Wastewater Treatment: Total removal: 4.60 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.48 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 0.0031 5.93 1000 Water 11.6 1.44e+003 1000 Soil 88.2 2.88e+003 1000 Sediment 0.206 1.3e+004 0 Persistence Time: 2.57e+003 hr
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