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- Double-bond stereo
2-Phenyl-N'-[(E)-phenylmethylene]-4-quinolinecarbohydrazide
c1ccc(cc1)/C=N/NC(=O)c2cc(nc3c2cccc3)c4ccccc4
InChI=1S/C23H17N3O/c27-23(26-24-16-17-9-3-1-4-10-17)20-15-22(18-11-5-2-6-12-18)25-21-14-8-7-13-19(20)21/h1-16H,(H,26,27)/b24-16+
MCRJZBYOUNCZAQ-LFVJCYFKSA-N
CSID:5273698, http://www.chemspider.com/Chemical-Structure.5273698.html (accessed 19:50, Jul 7, 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) = 4.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 581.46 (Adapted Stein & Brown method) Melting Pt (deg C): 250.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.87E-013 (Modified Grain method) Subcooled liquid VP: 2.24E-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): 0.5945 log Kow used: 4.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.69E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.121E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.69 (KowWin est) Log Kaw used: -12.717 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.407 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8364 Biowin2 (Non-Linear Model) : 0.8344 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4666 (weeks-months) Biowin4 (Primary Survey Model) : 3.3505 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2198 Biowin6 (MITI Non-Linear Model): 0.0039 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1259 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): 2.99E-008 Pa (2.24E-010 mm Hg) Log Koa (Koawin est ): 17.407 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 100 Octanol/air (Koa) model: 6.27E+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 = 23.4638 E-12 cm3/molecule-sec Half-Life = 0.456 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.470 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 : 3.165E+006 Log Koc: 6.500 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 = 2.915 (BCF = 822.2) log Kow used: 4.69 (estimated) Volatilization from Water: Henry LC: 4.69E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.34E+011 hours (9.751E+009 days) Half-Life from Model Lake : 2.553E+012 hours (1.064E+011 days) Removal In Wastewater Treatment: Total removal: 65.52 percent Total biodegradation: 0.59 percent Total sludge adsorption: 64.93 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 0.000208 10.9 1000 Water 9.43 900 1000 Soil 79.7 1.8e+003 1000 Sediment 10.9 8.1e+003 0 Persistence Time: 2.06e+003 hr
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