- Double-bond stereo
[(Z)-{6-[(Z)-Phenyl-ONN-azoxy]hexyl}-NNO-azoxy]benzene
c1ccc(cc1)/[N+](=N/CCCCCC/N=[N+](\[O-])/c2ccccc2)/[O-]
InChI=1S/C18H22N4O2/c23-21(17-11-5-3-6-12-17)19-15-9-1-2-10-16-20-22(24)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2/b21-19-,22-20-
VSVIUXXFABELIO-WRBBJXAJSA-N
CSID:169198, http://www.chemspider.com/Chemical-Structure.169198.html (accessed 03:42, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -2.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 797.90 (Adapted Stein & Brown method) Melting Pt (deg C): 349.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.58E-024 (Modified Grain method) Subcooled liquid VP: 8.09E-021 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): 9.768e+005 log Kow used: -2.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.033903 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.08E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.990E-031 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.93 (KowWin est) Log Kaw used: -19.070 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.140 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8474 Biowin2 (Non-Linear Model) : 0.8747 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5174 (weeks-months) Biowin4 (Primary Survey Model) : 3.3837 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1045 Biowin6 (MITI Non-Linear Model): 0.0511 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0364 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): 1.08E-018 Pa (8.09E-021 mm Hg) Log Koa (Koawin est ): 16.140 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.78E+012 Octanol/air (Koa) model: 3.39E+003 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 = 8.7836 E-12 cm3/molecule-sec Half-Life = 1.218 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.613 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 : 6.711E+004 Log Koc: 4.827 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 = 0.500 (BCF = 3.162) log Kow used: -2.93 (estimated) Volatilization from Water: Henry LC: 2.08E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.101E+017 hours (2.125E+016 days) Half-Life from Model Lake : 5.565E+018 hours (2.319E+017 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.632 29.2 1000 Water 48.9 900 1000 Soil 50.4 1.8e+003 1000 Sediment 0.0938 8.1e+003 0 Persistence Time: 786 hr
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