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N'-(3-Bromobenzylidene)-1-heptyl-2-hydroxy-4-oxo-1,4-dihydro-3-quinolinecarbohydrazide
CCCCCCCn1c2ccccc2c(=O)c(c1O)C(=O)NN=Cc3cccc(c3)Br
InChI=1S/C24H26BrN3O3/c1-2-3-4-5-8-14-28-20-13-7-6-12-19(20)22(29)21(24(28)31)23(30)27-26-16-17-10-9-11-18(25)15-17/h6-7,9-13,15-16,31H,2-5,8,14H2,1H3,(H,27,30)
WYIGCKQIKKMYDZ-UHFFFAOYSA-N
CSID:1292959, http://www.chemspider.com/Chemical-Structure.1292959.html (accessed 14:48, May 21, 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) = 5.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 657.83 (Adapted Stein & Brown method) Melting Pt (deg C): 286.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.71E-018 (Modified Grain method) Subcooled liquid VP: 2.14E-015 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): 0.00871 log Kow used: 5.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.096556 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Vinyl/Allyl Ketones Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.49E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.983E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.87 (KowWin est) Log Kaw used: -15.215 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 21.085 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4753 Biowin2 (Non-Linear Model) : 0.0052 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1737 (months ) Biowin4 (Primary Survey Model) : 3.0837 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0152 Biowin6 (MITI Non-Linear Model): 0.0058 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4696 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): 2.85E-013 Pa (2.14E-015 mm Hg) Log Koa (Koawin est ): 21.085 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.05E+007 Octanol/air (Koa) model: 2.99E+008 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 = 47.5482 E-12 cm3/molecule-sec Half-Life = 0.225 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.699 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) 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 : 1.019E+004 Log Koc: 4.008 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 = 2.982 (BCF = 958.3) log Kow used: 5.87 (estimated) Volatilization from Water: Henry LC: 1.49E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.648E+013 hours (3.603E+012 days) Half-Life from Model Lake : 9.434E+014 hours (3.931E+013 days) Removal In Wastewater Treatment: Total removal: 91.51 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.75 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 0.0208 5.22 1000 Water 2.98 1.44e+003 1000 Soil 48.3 2.88e+003 1000 Sediment 48.7 1.3e+004 0 Persistence Time: 4.43e+003 hr
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