- Charge
4,4'-Biphenylbis(diazonium)
c1cc(ccc1c2ccc(cc2)[N+]#N)[N+]#N
InChI=1S/C12H8N4/c13-15-11-5-1-9(2-6-11)10-3-7-12(16-14)8-4-10/h1-8H/q+2
HJBUBXIDMQBSQW-UHFFFAOYSA-N
CSID:167292, http://www.chemspider.com/Chemical-Structure.167292.html (accessed 03:56, Apr 20, 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) = 4.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 695.67 (Adapted Stein & Brown method) Melting Pt (deg C): 304.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.65E-016 (Modified Grain method) Subcooled liquid VP: 2.18E-013 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): 5.891 log Kow used: 4.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 298.49 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Diazoniums Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.44E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.674E-018 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.48 (KowWin est) Log Kaw used: -3.741 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.221 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1809 Biowin2 (Non-Linear Model) : 0.0227 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4691 (weeks-months) Biowin4 (Primary Survey Model) : 3.3306 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1662 Biowin6 (MITI Non-Linear Model): 0.0088 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9207 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): 2.91E-011 Pa (2.18E-013 mm Hg) Log Koa (Koawin est ): 8.221 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E+005 Octanol/air (Koa) model: 4.08E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.00326 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 153.8048 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.835 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 : 2740 Log Koc: 3.438 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 = 2.752 (BCF = 564.8) log Kow used: 4.48 (estimated) Volatilization from Water: Henry LC: 4.44E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 191.8 hours (7.99 days) Half-Life from Model Lake : 2213 hours (92.2 days) Removal In Wastewater Treatment: Total removal: 55.04 percent Total biodegradation: 0.51 percent Total sludge adsorption: 54.42 percent Total to Air: 0.11 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0614 1.67 1000 Water 14.6 900 1000 Soil 74.9 1.8e+003 1000 Sediment 10.4 8.1e+003 0 Persistence Time: 1.22e+003 hr
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