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- Double-bond stereo
N'-(4-Ethylcyclohexylidene)-4-fluorobenzohydrazide
CCC1CCC(=NNC(=O)c2ccc(cc2)F)CC1
InChI=1S/C15H19FN2O/c1-2-11-3-9-14(10-4-11)17-18-15(19)12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)/b17-14-
QSKWEQGBXOWDIT-VKAVYKQESA-N
CSID:4241580, http://www.chemspider.com/Chemical-Structure.4241580.html (accessed 07:08, Jun 17, 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) = 5.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 404.43 (Adapted Stein & Brown method) Melting Pt (deg C): 149.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.48E-007 (Modified Grain method) Subcooled liquid VP: 6.49E-006 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): 0.7422 log Kow used: 5.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.265 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.21E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.618E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.19 (KowWin est) Log Kaw used: -6.044 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.234 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1873 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2125 (months ) Biowin4 (Primary Survey Model) : 3.4827 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1231 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0398 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): 0.000865 Pa (6.49E-006 mm Hg) Log Koa (Koawin est ): 11.234 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00347 Octanol/air (Koa) model: 0.0421 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.111 Mackay model : 0.217 Octanol/air (Koa) model: 0.771 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.3049 E-12 cm3/molecule-sec Half-Life = 0.584 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.012 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.164 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.031E+004 Log Koc: 4.308 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 = 3.298 (BCF = 1988) log Kow used: 5.19 (estimated) Volatilization from Water: Henry LC: 2.21E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.291E+004 hours (1788 days) Half-Life from Model Lake : 4.682E+005 hours (1.951E+004 days) Removal In Wastewater Treatment: Total removal: 82.88 percent Total biodegradation: 0.71 percent Total sludge adsorption: 82.17 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 0.0628 14 1000 Water 5.98 1.44e+003 1000 Soil 66.5 2.88e+003 1000 Sediment 27.4 1.3e+004 0 Persistence Time: 3.27e+003 hr
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