9H-Benzo[a]fluoren-9-one
c1ccc2c(c1)ccc3=C4C=CC(=O)C=C4C=c23
InChI=1S/C17H10O/c18-13-6-8-15-12(9-13)10-17-14-4-2-1-3-11(14)5-7-16(15)17/h1-10H
KQARIORMHGDNQO-UHFFFAOYSA-N
CSID:160035, http://www.chemspider.com/Chemical-Structure.160035.html (accessed 11:56, Mar 28, 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) = 3.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 368.64 (Adapted Stein & Brown method) Melting Pt (deg C): 133.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.88E-006 (Modified Grain method) Subcooled liquid VP: 4.75E-005 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): 57.16 log Kow used: 3.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.44917 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.33E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.057E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.19 (KowWin est) Log Kaw used: -5.587 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.777 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6448 Biowin2 (Non-Linear Model) : 0.3287 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6678 (weeks-months) Biowin4 (Primary Survey Model) : 3.4933 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2148 Biowin6 (MITI Non-Linear Model): 0.0668 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3787 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): 0.00633 Pa (4.75E-005 mm Hg) Log Koa (Koawin est ): 8.777 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000474 Octanol/air (Koa) model: 0.000147 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0168 Mackay model : 0.0365 Octanol/air (Koa) model: 0.0116 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 159.6574 E-12 cm3/molecule-sec Half-Life = 0.067 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.804 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 5.185000 E-17 cm3/molecule-sec Half-Life = 0.221 Days (at 7E11 mol/cm3) Half-Life = 5.305 Hrs Fraction sorbed to airborne particulates (phi): 0.0267 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.172E+004 Log Koc: 4.069 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 = 1.757 (BCF = 57.12) log Kow used: 3.19 (estimated) Volatilization from Water: Henry LC: 6.33E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.404E+004 hours (584.9 days) Half-Life from Model Lake : 1.533E+005 hours (6386 days) Removal In Wastewater Treatment: Total removal: 7.67 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.53 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 0.0506 1.23 1000 Water 18.2 900 1000 Soil 81.1 1.8e+003 1000 Sediment 0.639 8.1e+003 0 Persistence Time: 1.08e+003 hr
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