Benzo[ghi]fluoranthene
c1cc2ccc3ccc4cccc-5c4c3c2c5c1
InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H
YEIHPPOCKIHUQJ-UHFFFAOYSA-N
CSID:8790, http://www.chemspider.com/Chemical-Structure.8790.html (accessed 10:37, Apr 16, 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) = 5.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 415.41 (Adapted Stein & Brown method) Melting Pt (deg C): 153.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.71E-007 (Modified Grain method) Subcooled liquid VP: 3.5E-006 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): 0.04769 log Kow used: 5.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0084255 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.34E-006 atm-m3/mole Group Method: 3.38E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.068E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.52 (KowWin est) Log Kaw used: -4.261 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.781 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0175 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8998 (months ) Biowin4 (Primary Survey Model) : 2.8190 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1211 Biowin6 (MITI Non-Linear Model): 0.0570 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1182 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.3706 BioHC Half-Life (days) : 234.7250 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000467 Pa (3.5E-006 mm Hg) Log Koa (Koawin est ): 9.781 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00643 Octanol/air (Koa) model: 0.00148 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.188 Mackay model : 0.34 Octanol/air (Koa) model: 0.106 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 62.0540 E-12 cm3/molecule-sec Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.068 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.264 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.361E+005 Log Koc: 5.373 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 = 3.551 (BCF = 3558) log Kow used: 5.52 (estimated) Volatilization from Water: Henry LC: 3.38E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2607 hours (108.6 days) Half-Life from Model Lake : 2.857E+004 hours (1190 days) Removal In Wastewater Treatment: Total removal: 88.53 percent Total biodegradation: 0.75 percent Total sludge adsorption: 87.78 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 0.0579 4.14 1000 Water 5.2 1.44e+003 1000 Soil 48.5 2.88e+003 1000 Sediment 46.3 1.3e+004 0 Persistence Time: 3.03e+003 hr
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