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- Double-bond stereo
(2E)-N-Phenyl-2-(1-phenylhexylidene)hydrazinecarboxamide
CCCCC/C(=N\NC(=O)Nc1ccccc1)/c2ccccc2
InChI=1S/C19H23N3O/c1-2-3-6-15-18(16-11-7-4-8-12-16)21-22-19(23)20-17-13-9-5-10-14-17/h4-5,7-14H,2-3,6,15H2,1H3,(H2,20,22,23)/b21-18+
GXGJRWREFVKRBH-DYTRJAOYSA-N
CSID:4900078, http://www.chemspider.com/Chemical-Structure.4900078.html (accessed 01:38, May 3, 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) = 6.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 461.74 (Adapted Stein & Brown method) Melting Pt (deg C): 180.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.97E-009 (Modified Grain method) Subcooled liquid VP: 2.51E-007 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): 0.03544 log Kow used: 6.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.038793 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.79E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.858E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.42 (KowWin est) Log Kaw used: -8.136 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.556 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9649 Biowin2 (Non-Linear Model) : 0.9830 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8578 (weeks ) Biowin4 (Primary Survey Model) : 3.6802 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0719 Biowin6 (MITI Non-Linear Model): 0.0302 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0248 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): 3.35E-005 Pa (2.51E-007 mm Hg) Log Koa (Koawin est ): 14.556 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0896 Octanol/air (Koa) model: 88.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.764 Mackay model : 0.878 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.5090 E-12 cm3/molecule-sec Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.399 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.821 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.479E+004 Log Koc: 4.928 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 = 4.245 (BCF = 1.758e+004) log Kow used: 6.42 (estimated) Volatilization from Water: Henry LC: 1.79E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.753E+006 hours (2.397E+005 days) Half-Life from Model Lake : 6.277E+007 hours (2.615E+006 days) Removal In Wastewater Treatment: Total removal: 93.31 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.54 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 0.00835 4.8 1000 Water 4.45 360 1000 Soil 44 720 1000 Sediment 51.5 3.24e+003 0 Persistence Time: 1.46e+003 hr
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