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10,10-Diphenyl-9(10H)-phenanthrenone
c1ccc(cc1)C2(c3ccccc3-c4ccccc4C2=O)c5ccccc5
InChI=1S/C26H18O/c27-25-23-17-8-7-15-21(23)22-16-9-10-18-24(22)26(25,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H
CWWYINWHFDCHGE-UHFFFAOYSA-N
CSID:548282, http://www.chemspider.com/Chemical-Structure.548282.html (accessed 05:05, Jul 9, 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) = 6.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 503.76 (Adapted Stein & Brown method) Melting Pt (deg C): 214.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.13E-010 (Modified Grain method) Subcooled liquid VP: 2.21E-008 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): 0.0009859 log Kow used: 6.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00084448 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.80E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.848E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.69 (KowWin est) Log Kaw used: -7.133 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.823 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6617 Biowin2 (Non-Linear Model) : 0.3802 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2430 (months ) Biowin4 (Primary Survey Model) : 3.1820 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0148 Biowin6 (MITI Non-Linear Model): 0.0166 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1714 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): 2.95E-006 Pa (2.21E-008 mm Hg) Log Koa (Koawin est ): 13.823 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.02 Octanol/air (Koa) model: 16.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.974 Mackay model : 0.988 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.7431 E-12 cm3/molecule-sec Half-Life = 0.679 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.153 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.981 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.912E+006 Log Koc: 6.464 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 = 3.608 (BCF = 4056) log Kow used: 6.69 (estimated) Volatilization from Water: Henry LC: 1.8E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.054E+005 hours (2.523E+004 days) Half-Life from Model Lake : 6.605E+006 hours (2.752E+005 days) Removal In Wastewater Treatment: Total removal: 93.65 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.87 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 0.0606 16.3 1000 Water 1.58 1.44e+003 1000 Soil 38.6 2.88e+003 1000 Sediment 59.7 1.3e+004 0 Persistence Time: 5.21e+003 hr
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