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- Double-bond stereo
N'~1~,N'~6~-Bis[(1E)-1-(1-naphthyl)ethylidene]hexanedihydrazide
O=C(N/N=C(/c2c1ccccc1ccc2)C)CCCCC(=O)N\N=C(\c4cccc3ccccc34)C
InChI=1S/C30H30N4O2/c1-21(25-17-9-13-23-11-3-5-15-27(23)25)31-33-29(35)19-7-8-20-30(36)34-32-22(2)26-18-10-14-24-12-4-6-16-28(24)26/h3-6,9-18H,7-8,19-20H2,1-2H3,(H,33,35)(H,34,36)/b31-21+,32-22+
VNVHROSSBQGWAR-RWRHWQIFSA-N
CSID:7902137, http://www.chemspider.com/Chemical-Structure.7902137.html (accessed 22:50, Jul 5, 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) = 7.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 748.21 (Adapted Stein & Brown method) Melting Pt (deg C): 328.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.09E-018 (Modified Grain method) Subcooled liquid VP: 8.4E-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): 6.966e-005 log Kow used: 7.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00075796 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.93E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.793E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.07 (KowWin est) Log Kaw used: -12.696 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.766 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5197 Biowin2 (Non-Linear Model) : 0.0222 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1415 (months ) Biowin4 (Primary Survey Model) : 3.1572 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3982 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5551 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): 1.12E-012 Pa (8.4E-015 mm Hg) Log Koa (Koawin est ): 19.766 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.68E+006 Octanol/air (Koa) model: 1.43E+007 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 = 117.1938 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.095 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 : 2.085E+008 Log Koc: 8.319 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 = 4.712 (BCF = 5.158e+004) log Kow used: 7.07 (estimated) Volatilization from Water: Henry LC: 4.93E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.598E+011 hours (1.083E+010 days) Half-Life from Model Lake : 2.834E+012 hours (1.181E+011 days) Removal In Wastewater Treatment: Total removal: 93.87 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.10 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 0.0198 2.19 1000 Water 1.52 1.44e+003 1000 Soil 31.8 2.88e+003 1000 Sediment 66.7 1.3e+004 0 Persistence Time: 4.7e+003 hr
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