- Double-bond stereo
1-[(Z)-(2,4-Difluorophenyl)-NNO-azoxy]-2,4-difluorobenzene
c1cc(c(cc1F)F)/N=[N+](/c2ccc(cc2F)F)\[O-]
InChI=1S/C12H6F4N2O/c13-7-1-3-11(9(15)5-7)17-18(19)12-4-2-8(14)6-10(12)16/h1-6H/b18-17-
SVPAOXCKVYBZDA-ZCXUNETKSA-N
CSID:128193, http://www.chemspider.com/Chemical-Structure.128193.html (accessed 09:48, Sep 22, 2023)
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) = -0.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 488.77 (Adapted Stein & Brown method) Melting Pt (deg C): 207.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.8E-012 (Modified Grain method) Subcooled liquid VP: 4.11E-010 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): 7786 log Kow used: -0.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.998 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.200E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.08 (KowWin est) Log Kaw used: -12.935 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.855 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -2.6215 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.9721 (recalcitrant) Biowin4 (Primary Survey Model) : 3.5103 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0149 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1742 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): 5.48E-008 Pa (4.11E-010 mm Hg) Log Koa (Koawin est ): 12.855 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 54.7 Octanol/air (Koa) model: 1.76 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.8665 E-12 cm3/molecule-sec Half-Life = 5.731 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 68.767 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 : 2.317E+004 Log Koc: 4.365 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: -0.08 (estimated) Volatilization from Water: Henry LC: 2.84E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.395E+011 hours (1.415E+010 days) Half-Life from Model Lake : 3.704E+012 hours (1.543E+011 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 7.49e-005 138 1000 Water 53.3 4.32e+003 1000 Soil 46.6 8.64e+003 1000 Sediment 0.106 3.89e+004 0 Persistence Time: 1.52e+003 hr
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