Try beta.chemspider
9,10-Diphenyl-9,10-dihydro-9,10-anthracenediol
c1ccc(cc1)C2(c3ccccc3C(c4c2cccc4)(c5ccccc5)O)O
InChI=1S/C26H20O2/c27-25(19-11-3-1-4-12-19)21-15-7-9-17-23(21)26(28,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18,27-28H
RYFIDGIWTNANMO-UHFFFAOYSA-N
CSID:85697, http://www.chemspider.com/Chemical-Structure.85697.html (accessed 21:51, Jul 5, 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) = 5.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 516.03 (Adapted Stein & Brown method) Melting Pt (deg C): 220.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.53E-013 (Modified Grain method) Subcooled liquid VP: 1.86E-011 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): 0.009437 log Kow used: 5.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.037442 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.69E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.775E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.41 (KowWin est) Log Kaw used: -10.161 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.571 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4624 Biowin2 (Non-Linear Model) : 0.1177 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0136 (months ) Biowin4 (Primary Survey Model) : 3.0248 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0889 Biowin6 (MITI Non-Linear Model): 0.0065 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1138 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): 2.48E-009 Pa (1.86E-011 mm Hg) Log Koa (Koawin est ): 15.571 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.21E+003 Octanol/air (Koa) model: 914 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 = 19.1785 E-12 cm3/molecule-sec Half-Life = 0.558 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.692 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 7.088E+004 Log Koc: 4.851 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 = 3.465 (BCF = 2919) log Kow used: 5.41 (estimated) Volatilization from Water: Henry LC: 1.69E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.614E+008 hours (2.756E+007 days) Half-Life from Model Lake : 7.215E+009 hours (3.006E+008 days) Removal In Wastewater Treatment: Total removal: 87.04 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.30 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 0.0878 13.4 1000 Water 5.15 1.44e+003 1000 Soil 57.7 2.88e+003 1000 Sediment 37 1.3e+004 0 Persistence Time: 3.37e+003 hr
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