4-Butoxy-N'-(4-propylbenzoyl)benzohydrazide
CCCCOc1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CCC
InChI=1S/C21H26N2O3/c1-3-5-15-26-19-13-11-18(12-14-19)21(25)23-22-20(24)17-9-7-16(6-4-2)8-10-17/h7-14H,3-6,15H2,1-2H3,(H,22,24)(H,23,25)
XCQFGZXZNMUYKB-UHFFFAOYSA-N
CSID:1469468, http://www.chemspider.com/Chemical-Structure.1469468.html (accessed 22:08, Mar 28, 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) = 5.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 579.60 (Adapted Stein & Brown method) Melting Pt (deg C): 249.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.01E-013 (Modified Grain method) Subcooled liquid VP: 2.5E-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): 0.173 log Kow used: 5.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.1955 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.53E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.429E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.30 (KowWin est) Log Kaw used: -9.985 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.285 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8738 Biowin2 (Non-Linear Model) : 0.9337 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5812 (weeks-months) Biowin4 (Primary Survey Model) : 3.6140 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3116 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2440 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): 3.33E-008 Pa (2.5E-010 mm Hg) Log Koa (Koawin est ): 15.285 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 90 Octanol/air (Koa) model: 473 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 = 49.8293 E-12 cm3/molecule-sec Half-Life = 0.215 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.576 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 : 1.987E+004 Log Koc: 4.298 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 = 3.382 (BCF = 2409) log Kow used: 5.30 (estimated) Volatilization from Water: Henry LC: 2.53E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.357E+008 hours (1.815E+007 days) Half-Life from Model Lake : 4.753E+009 hours (1.98E+008 days) Removal In Wastewater Treatment: Total removal: 85.18 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.45 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 0.0461 5.15 1000 Water 7.37 900 1000 Soil 60.9 1.8e+003 1000 Sediment 31.7 8.1e+003 0 Persistence Time: 2.15e+003 hr
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