Try beta.chemspider
- Double-bond stereo
2,6-Diamino-5-[(E)-phenyldiazenyl]-3-pyridinol
c1ccc(cc1)/N=N/c2cc(c(nc2N)N)O
InChI=1S/C11H11N5O/c12-10-8(6-9(17)11(13)14-10)16-15-7-4-2-1-3-5-7/h1-6,17H,(H4,12,13,14)/b16-15+
BVBZFKYOQZLANE-FOCLMDBBSA-N
CSID:20129762, http://www.chemspider.com/Chemical-Structure.20129762.html (accessed 22:22, Jun 15, 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) = 2.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 426.08 (Adapted Stein & Brown method) Melting Pt (deg C): 178.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.16E-009 (Modified Grain method) Subcooled liquid VP: 3.57E-007 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): 125.2 log Kow used: 2.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 182.38 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Anilines (amino-meta) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.50E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.207E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.29 (KowWin est) Log Kaw used: -16.991 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.281 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0184 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9865 (months ) Biowin4 (Primary Survey Model) : 3.2733 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2511 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6478 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): 4.76E-005 Pa (3.57E-007 mm Hg) Log Koa (Koawin est ): 19.281 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.063 Octanol/air (Koa) model: 4.69E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.695 Mackay model : 0.834 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.2688 E-12 cm3/molecule-sec Half-Life = 3.272 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 39.266 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.765 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1446 Log Koc: 3.160 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 = 1.000 (BCF = 10) log Kow used: 2.29 (estimated) Volatilization from Water: Henry LC: 2.5E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.546E+015 hours (1.477E+014 days) Half-Life from Model Lake : 3.868E+016 hours (1.612E+015 days) Removal In Wastewater Treatment: Total removal: 2.62 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.52 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 6.28e-012 78.5 1000 Water 17.6 1.44e+003 1000 Soil 82.3 2.88e+003 1000 Sediment 0.105 1.3e+004 0 Persistence Time: 2.18e+003 hr
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