5-Nitroso-8-quinolinol
c1cc2c(ccc(c2nc1)O)N=O
InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H
RZWRYPGAUIOOMK-UHFFFAOYSA-N
CSID:18030, http://www.chemspider.com/Chemical-Structure.18030.html (accessed 04:50, Apr 18, 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) = 1.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 310.19 (Adapted Stein & Brown method) Melting Pt (deg C): 110.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.2E-005 (Modified Grain method) Subcooled liquid VP: 0.000363 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): 1.097e+004 log Kow used: 1.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 175.66 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.50E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.086E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.53 (KowWin est) Log Kaw used: -10.513 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.043 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7804 Biowin2 (Non-Linear Model) : 0.8091 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8707 (weeks ) Biowin4 (Primary Survey Model) : 3.6362 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2993 Biowin6 (MITI Non-Linear Model): 0.1958 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4397 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): 0.0484 Pa (0.000363 mm Hg) Log Koa (Koawin est ): 12.043 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.2E-005 Octanol/air (Koa) model: 0.271 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00223 Mackay model : 0.00493 Octanol/air (Koa) model: 0.956 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 72.7653 E-12 cm3/molecule-sec Half-Life = 0.147 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.764 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00358 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9705 Log Koc: 3.987 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 = 0.480 (BCF = 3.02) log Kow used: 1.53 (estimated) Volatilization from Water: Henry LC: 7.5E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.03E+009 hours (4.293E+007 days) Half-Life from Model Lake : 1.124E+010 hours (4.683E+008 days) Removal In Wastewater Treatment: Total removal: 1.98 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 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 1.57e-005 3.53 1000 Water 28.7 360 1000 Soil 71.2 720 1000 Sediment 0.0694 3.24e+003 0 Persistence Time: 655 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight