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10-(9-Anthrylmethyl)-9(10H)-anthracenone
c1ccc2c(c1)cc3ccccc3c2CC4c5ccccc5C(=O)c6c4cccc6
InChI=1S/C29H20O/c30-29-25-15-7-5-13-23(25)28(24-14-6-8-16-26(24)29)18-27-21-11-3-1-9-19(21)17-20-10-2-4-12-22(20)27/h1-17,28H,18H2
BOCVGMKHBDVRDZ-UHFFFAOYSA-N
CSID:4418857, http://www.chemspider.com/Chemical-Structure.4418857.html (accessed 04:00, May 8, 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) = 8.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 565.04 (Adapted Stein & Brown method) Melting Pt (deg C): 242.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.6E-012 (Modified Grain method) Subcooled liquid VP: 5.97E-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): 4.335e-005 log Kow used: 8.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.0157e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.02E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.034E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.00 (KowWin est) Log Kaw used: -7.484 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.484 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6807 Biowin2 (Non-Linear Model) : 0.1481 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1773 (months ) Biowin4 (Primary Survey Model) : 3.1337 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2397 Biowin6 (MITI Non-Linear Model): 0.0038 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3813 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): 7.96E-008 Pa (5.97E-010 mm Hg) Log Koa (Koawin est ): 15.484 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 37.7 Octanol/air (Koa) model: 748 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 = 111.3629 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.153 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 : 1.779E+007 Log Koc: 7.250 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 = 2.595 (BCF = 393.9) log Kow used: 8.00 (estimated) Volatilization from Water: Henry LC: 8.02E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.431E+006 hours (5.964E+004 days) Half-Life from Model Lake : 1.562E+007 hours (6.507E+005 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0203 2.31 1000 Water 1.38 1.44e+003 1000 Soil 31.2 2.88e+003 1000 Sediment 67.4 1.3e+004 0 Persistence Time: 4.81e+003 hr
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