Try beta.chemspider
Dibenzo[f,h]quinoxaline
c1ccc2c(c1)c3ccccc3c4c2nccn4
InChI=1S/C16H10N2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16/h1-10H
KBBSSGXNXGXONI-UHFFFAOYSA-N
CSID:221388, http://www.chemspider.com/Chemical-Structure.221388.html (accessed 19:38, May 21, 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) = 3.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 410.07 (Adapted Stein & Brown method) Melting Pt (deg C): 158.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.03E-007 (Modified Grain method) Subcooled liquid VP: 4.73E-006 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): 2.571 log Kow used: 3.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.6822 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.72E-009 atm-m3/mole Group Method: 3.08E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.392E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.47 (KowWin est) Log Kaw used: -6.954 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.424 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0194 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8910 (months ) Biowin4 (Primary Survey Model) : 2.8133 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1093 Biowin6 (MITI Non-Linear Model): 0.0511 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1182 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): 0.000631 Pa (4.73E-006 mm Hg) Log Koa (Koawin est ): 10.424 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00476 Octanol/air (Koa) model: 0.00652 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.147 Mackay model : 0.276 Octanol/air (Koa) model: 0.343 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.0001 E-12 cm3/molecule-sec Half-Life = 0.382 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.584 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.211 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.612E+004 Log Koc: 4.417 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 = 1.971 (BCF = 93.44) log Kow used: 3.47 (estimated) Volatilization from Water: Henry LC: 2.72E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.266E+005 hours (1.361E+004 days) Half-Life from Model Lake : 3.563E+006 hours (1.485E+005 days) Removal In Wastewater Treatment: Total removal: 12.37 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.19 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 0.0148 9.17 1000 Water 9.58 1.44e+003 1000 Soil 89.6 2.88e+003 1000 Sediment 0.764 1.3e+004 0 Persistence Time: 2.7e+003 hr
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