Try beta.chemspider
2,2-Bis(4-chlorophenyl)-N'-cyclohexylidene-2-hydroxyacetohydrazide
c1cc(ccc1C(c2ccc(cc2)Cl)(C(=O)NN=C3CCCCC3)O)Cl
InChI=1S/C20H20Cl2N2O2/c21-16-10-6-14(7-11-16)20(26,15-8-12-17(22)13-9-15)19(25)24-23-18-4-2-1-3-5-18/h6-13,26H,1-5H2,(H,24,25)
IQGGAJUGRSSLKJ-UHFFFAOYSA-N
CSID:1053877, http://www.chemspider.com/Chemical-Structure.1053877.html (accessed 06:08, Jun 1, 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) = 5.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 543.09 (Adapted Stein & Brown method) Melting Pt (deg C): 232.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.12E-014 (Modified Grain method) Subcooled liquid VP: 8.82E-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): 0.1008 log Kow used: 5.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.0916 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 : 3.04E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.615E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.31 (KowWin est) Log Kaw used: -8.906 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.216 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0125 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7091 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7991 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2076 Biowin6 (MITI Non-Linear Model): 0.0013 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6662 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): 1.18E-009 Pa (8.82E-012 mm Hg) Log Koa (Koawin est ): 14.216 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.55E+003 Octanol/air (Koa) model: 40.4 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 = 15.9963 E-12 cm3/molecule-sec Half-Life = 0.669 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.024 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 : 8.665E+004 Log Koc: 4.938 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 = 3.390 (BCF = 2457) log Kow used: 5.31 (estimated) Volatilization from Water: Henry LC: 3.04E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.81E+007 hours (1.587E+006 days) Half-Life from Model Lake : 4.156E+008 hours (1.732E+007 days) Removal In Wastewater Treatment: Total removal: 85.36 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.63 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 0.0505 16 1000 Water 2.9 4.32e+003 1000 Soil 69.7 8.64e+003 1000 Sediment 27.3 3.89e+004 0 Persistence Time: 7.89e+003 hr
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