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- Double-bond stereo
N'-[(E)-(4-Chlorophenyl)methylene]-2-hydroxy-2,2-diphenylacetohydrazide
c1ccc(cc1)C(c2ccccc2)(C(=O)N/N=C/c3ccc(cc3)Cl)O
InChI=1S/C21H17ClN2O2/c22-19-13-11-16(12-14-19)15-23-24-20(25)21(26,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,26H,(H,24,25)/b23-15+
ONWGJPDBNJONCO-HZHRSRAPSA-N
CSID:5259867, http://www.chemspider.com/Chemical-Structure.5259867.html (accessed 11:32, Apr 30, 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
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) = 3.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 544.03 (Adapted Stein & Brown method) Melting Pt (deg C): 233.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.73E-014 (Modified Grain method) Subcooled liquid VP: 8.25E-012 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): 6.733 log Kow used: 3.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17.037 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.82E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.372E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.37 (KowWin est) Log Kaw used: -10.128 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.498 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4637 Biowin2 (Non-Linear Model) : 0.0901 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0182 (months ) Biowin4 (Primary Survey Model) : 3.0124 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1942 Biowin6 (MITI Non-Linear Model): 0.0028 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7670 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): 1.1E-009 Pa (8.25E-012 mm Hg) Log Koa (Koawin est ): 13.498 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.73E+003 Octanol/air (Koa) model: 7.73 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.8221 E-12 cm3/molecule-sec Half-Life = 0.600 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.202 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 9.868E+004 Log Koc: 4.994 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 = 1.891 (BCF = 77.84) log Kow used: 3.37 (estimated) Volatilization from Water: Henry LC: 1.82E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.145E+008 hours (2.56E+007 days) Half-Life from Model Lake : 6.703E+009 hours (2.793E+008 days) Removal In Wastewater Treatment: Total removal: 10.40 percent Total biodegradation: 0.16 percent Total sludge adsorption: 10.23 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 0.168 14.4 1000 Water 11.9 1.44e+003 1000 Soil 87.2 2.88e+003 1000 Sediment 0.74 1.3e+004 0 Persistence Time: 2.06e+003 hr
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