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- Double-bond stereo
N',N''-[1,3-Phenylenedi(E)methylylidene]dioctanehydrazide
O=C(N\N=C\c1cccc(\C=N\NC(=O)CCCCCCC)c1)CCCCCCC
InChI=1S/C24H38N4O2/c1-3-5-7-9-11-16-23(29)27-25-19-21-14-13-15-22(18-21)20-26-28-24(30)17-12-10-8-6-4-2/h13-15,18-20H,3-12,16-17H2,1-2H3,(H,27,29)(H,28,30)/b25-19+,26-20+
ICRJASNQLXJTJN-FQHZWJPGSA-N
CSID:7888257, http://www.chemspider.com/Chemical-Structure.7888257.html (accessed 23:27, May 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) = 5.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 621.42 (Adapted Stein & Brown method) Melting Pt (deg C): 269.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.19E-014 (Modified Grain method) Subcooled liquid VP: 2.03E-011 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): 0.0363 log Kow used: 5.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.12185 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.14E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.297E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.66 (KowWin est) Log Kaw used: -8.677 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.337 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7670 Biowin2 (Non-Linear Model) : 0.6919 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8796 (weeks ) Biowin4 (Primary Survey Model) : 3.7877 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0859 Biowin6 (MITI Non-Linear Model): 0.0375 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0378 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): 2.71E-009 Pa (2.03E-011 mm Hg) Log Koa (Koawin est ): 14.337 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.11E+003 Octanol/air (Koa) model: 53.3 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 = 47.6494 E-12 cm3/molecule-sec Half-Life = 0.224 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.694 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 : 6.185E+006 Log Koc: 6.791 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 = 2.660 (BCF = 457) log Kow used: 5.66 (estimated) Volatilization from Water: Henry LC: 5.14E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.319E+007 hours (9.664E+005 days) Half-Life from Model Lake : 2.53E+008 hours (1.054E+007 days) Removal In Wastewater Treatment: Total removal: 89.99 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.24 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 0.229 5.39 1000 Water 10.1 360 1000 Soil 46.8 720 1000 Sediment 42.8 3.24e+003 0 Persistence Time: 859 hr
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