Try beta.chemspider
9,9-Diphenyl-9H-xanthene
c1ccc(cc1)C2(c3ccccc3Oc4c2cccc4)c5ccccc5
InChI=1S/C25H18O/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)21-15-7-9-17-23(21)26-24-18-10-8-16-22(24)25/h1-18H
GPYAGEJQCXTMET-UHFFFAOYSA-N
CSID:3618774, http://www.chemspider.com/Chemical-Structure.3618774.html (accessed 03:35, May 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) = 7.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 460.08 (Adapted Stein & Brown method) Melting Pt (deg C): 184.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.02E-009 (Modified Grain method) Subcooled liquid VP: 2.76E-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): 0.0003286 log Kow used: 7.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2585e-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 : 3.11E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.061E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.33 (KowWin est) Log Kaw used: -4.896 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.226 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7925 Biowin2 (Non-Linear Model) : 0.9155 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2339 (months ) Biowin4 (Primary Survey Model) : 3.2987 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1280 Biowin6 (MITI Non-Linear Model): 0.0375 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6015 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): 3.68E-005 Pa (2.76E-007 mm Hg) Log Koa (Koawin est ): 12.226 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0815 Octanol/air (Koa) model: 0.413 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.746 Mackay model : 0.867 Octanol/air (Koa) model: 0.971 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.3972 E-12 cm3/molecule-sec Half-Life = 0.524 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.293 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.807 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.052E+007 Log Koc: 7.485 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 = 4.359 (BCF = 2.286e+004) log Kow used: 7.33 (estimated) Volatilization from Water: Henry LC: 3.11E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3445 hours (143.5 days) Half-Life from Model Lake : 3.773E+004 hours (1572 days) Removal In Wastewater Treatment: Total removal: 93.95 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.17 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 0.0725 12.6 1000 Water 1.39 1.44e+003 1000 Soil 34.3 2.88e+003 1000 Sediment 64.2 1.3e+004 0 Persistence Time: 5.06e+003 hr
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