Try beta.chemspider
2',5'-Dihydroxy-3,3'-bipyridine-2,5,6,6'(1H,1'H)-tetrone
c1c(c([nH]c(=O)c1O)O)C2=CC(=O)C(=O)NC2=O
InChI=1S/C10H6N2O6/c13-5-1-3(7(15)11-9(5)17)4-2-6(14)10(18)12-8(4)16/h1-2,13H,(H2,11,15,17)(H,12,16,18)
FAPILHTVXITDRL-UHFFFAOYSA-N
CSID:167283, http://www.chemspider.com/Chemical-Structure.167283.html (accessed 09:15, May 14, 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) = -0.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 686.36 (Adapted Stein & Brown method) Melting Pt (deg C): 299.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.23E-020 (Modified Grain method) Subcooled liquid VP: 4.92E-017 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): 1627 log Kow used: -0.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Acrylamides Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.20E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.558E-024 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.17 (KowWin est) Log Kaw used: -14.765 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.595 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1561 Biowin2 (Non-Linear Model) : 0.9877 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9121 (weeks ) Biowin4 (Primary Survey Model) : 3.9511 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4292 Biowin6 (MITI Non-Linear Model): 0.1487 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3867 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): 6.56E-015 Pa (4.92E-017 mm Hg) Log Koa (Koawin est ): 14.595 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.57E+008 Octanol/air (Koa) model: 96.6 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 = 63.5701 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.019 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.985000 E-17 cm3/molecule-sec Half-Life = 1.163 Days (at 7E11 mol/cm3) Half-Life = 27.923 Hrs 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 : 10 Log Koc: 1.000 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: -0.17 (estimated) Volatilization from Water: Henry LC: 4.2E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.205E+013 hours (9.187E+011 days) Half-Life from Model Lake : 2.405E+014 hours (1.002E+013 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 0.364 3.53 1000 Water 45.1 360 1000 Soil 54.4 720 1000 Sediment 0.0831 3.24e+003 0 Persistence Time: 385 hr
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