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4-(4-Pyridinyl)pyridinium
c1c[nH+]ccc1c2ccncc2
InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H/p+1
MWVTWFVJZLCBMC-UHFFFAOYSA-O
CSID:3548796, http://www.chemspider.com/Chemical-Structure.3548796.html (accessed 09:41, Apr 26, 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) = 1.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 287.40 (Adapted Stein & Brown method) Melting Pt (deg C): 77.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0012 (Modified Grain method) Subcooled liquid VP: 0.0038 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): 4672 log Kow used: 1.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4021.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.09E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.313E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.38 (KowWin est) Log Kaw used: -7.538 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.918 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5181 Biowin2 (Non-Linear Model) : 0.2970 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6376 (weeks-months) Biowin4 (Primary Survey Model) : 3.6022 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2767 Biowin6 (MITI Non-Linear Model): 0.1808 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7137 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): 0.507 Pa (0.0038 mm Hg) Log Koa (Koawin est ): 8.918 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.92E-006 Octanol/air (Koa) model: 0.000203 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000214 Mackay model : 0.000473 Octanol/air (Koa) model: 0.016 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.2856 E-12 cm3/molecule-sec Half-Life = 8.320 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 99.842 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000344 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 248.7 Log Koc: 2.396 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 = 0.363 (BCF = 2.305) log Kow used: 1.38 (estimated) Volatilization from Water: Henry LC: 7.09E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.035E+006 hours (4.314E+004 days) Half-Life from Model Lake : 1.13E+007 hours (4.706E+005 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 0.00842 200 1000 Water 35.1 900 1000 Soil 64.8 1.8e+003 1000 Sediment 0.0836 8.1e+003 0 Persistence Time: 1.15e+003 hr
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