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- Double-bond stereo
(1Z,2E)-N'~1~,N'~2~-Bis[(1Z)-2-ethylhexylidene]ethanedihydrazonamide
N(\N=C(\C(=N/N=C\C(CC)CCCC)N)N)=C\C(CCCC)CC
InChI=1S/C18H36N6/c1-5-9-11-15(7-3)13-21-23-17(19)18(20)24-22-14-16(8-4)12-10-6-2/h13-16H,5-12H2,1-4H3,(H2,19,23)(H2,20,24)/b21-13-,22-14-
ABGUTHZZOGBPRM-JZTLMNBPSA-N
CSID:7837574, http://www.chemspider.com/Chemical-Structure.7837574.html (accessed 11:32, May 21, 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) = 6.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 419.59 (Adapted Stein & Brown method) Melting Pt (deg C): 124.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.81E-007 (Modified Grain method) Subcooled liquid VP: 2.76E-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): 0.009493 log Kow used: 6.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.81069 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.52E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.311E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.90 (KowWin est) Log Kaw used: -7.842 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.742 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8042 Biowin2 (Non-Linear Model) : 0.8718 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0522 (weeks ) Biowin4 (Primary Survey Model) : 3.9003 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0947 Biowin6 (MITI Non-Linear Model): 0.0167 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5731 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): 0.000368 Pa (2.76E-006 mm Hg) Log Koa (Koawin est ): 14.742 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00815 Octanol/air (Koa) model: 136 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.227 Mackay model : 0.395 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 64.9092 E-12 cm3/molecule-sec Half-Life = 0.165 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.977 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.311 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.417E+006 Log Koc: 6.534 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 = 3.116 (BCF = 1305) log Kow used: 6.90 (estimated) Volatilization from Water: Henry LC: 3.52E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.051E+006 hours (1.271E+005 days) Half-Life from Model Lake : 3.329E+007 hours (1.387E+006 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.02 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 0.00394 3.96 1000 Water 3.59 360 1000 Soil 41.4 720 1000 Sediment 55 3.24e+003 0 Persistence Time: 1.56e+003 hr
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