Try beta.chemspider
2,6-Diphenyl-9,10-anthraquinone
C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)C5=CC=CC=C5
InChI=1S/C26H16O2/c27-25-22-14-12-20(18-9-5-2-6-10-18)16-24(22)26(28)21-13-11-19(15-23(21)25)17-7-3-1-4-8-17/h1-16H
JFAGSNBTRRMHBA-UHFFFAOYSA-N
CSID:9902814, http://www.chemspider.com/Chemical-Structure.9902814.html (accessed 01:55, Jul 4, 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) = 6.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 560.05 (Adapted Stein & Brown method) Melting Pt (deg C): 240.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.73E-012 (Modified Grain method) Subcooled liquid VP: 8.02E-010 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): 0.0005623 log Kow used: 6.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.3257e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.87E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.146E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.87 (KowWin est) Log Kaw used: -9.117 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.987 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8458 Biowin2 (Non-Linear Model) : 0.6418 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4018 (weeks-months) Biowin4 (Primary Survey Model) : 3.2931 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0069 Biowin6 (MITI Non-Linear Model): 0.0135 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0382 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): 1.07E-007 Pa (8.02E-010 mm Hg) Log Koa (Koawin est ): 15.987 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 28.1 Octanol/air (Koa) model: 2.38E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.3778 E-12 cm3/molecule-sec Half-Life = 1.141 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.687 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.65E+005 Log Koc: 5.423 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 = 3.752 (BCF = 5646) log Kow used: 6.87 (estimated) Volatilization from Water: Henry LC: 1.87E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.944E+007 hours (2.477E+006 days) Half-Life from Model Lake : 6.484E+008 hours (2.702E+007 days) Removal In Wastewater Treatment: Total removal: 93.78 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.00 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 0.0647 27.4 1000 Water 1.93 900 1000 Soil 38.9 1.8e+003 1000 Sediment 59.1 8.1e+003 0 Persistence Time: 3.71e+003 hr
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