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5-Methylbenzo[ghi]fluoranthene
Cc1ccc2ccc3ccc4cccc-5c4c3c2c15
InChI=1S/C19H12/c1-11-5-6-13-9-10-14-8-7-12-3-2-4-15-16(11)18(13)19(14)17(12)15/h2-10H,1H3
LQZKZMSMZPSNLW-UHFFFAOYSA-N
CSID:158855, http://www.chemspider.com/Chemical-Structure.158855.html (accessed 23:14, Apr 25, 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) = 6.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 427.01 (Adapted Stein & Brown method) Melting Pt (deg C): 158.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.77E-008 (Modified Grain method) Subcooled liquid VP: 1.82E-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): 0.01365 log Kow used: 6.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.002669 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.48E-006 atm-m3/mole Group Method: 3.62E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.800E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.07 (KowWin est) Log Kaw used: -4.218 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.288 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0305 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7939 (months ) Biowin4 (Primary Survey Model) : 2.7303 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1127 Biowin6 (MITI Non-Linear Model): 0.0464 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3946 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.9547 BioHC Half-Life (days) : 90.0956 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000243 Pa (1.82E-006 mm Hg) Log Koa (Koawin est ): 10.288 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0124 Octanol/air (Koa) model: 0.00476 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.309 Mackay model : 0.497 Octanol/air (Koa) model: 0.276 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.1455 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.155 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.403 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.903E+005 Log Koc: 5.591 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 = 3.973 (BCF = 9388) log Kow used: 6.07 (estimated) Volatilization from Water: Henry LC: 3.62E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2509 hours (104.5 days) Half-Life from Model Lake : 2.75E+004 hours (1146 days) Removal In Wastewater Treatment: Total removal: 92.43 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.66 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 0.0261 2.31 1000 Water 2.78 1.44e+003 1000 Soil 36.9 2.88e+003 1000 Sediment 60.3 1.3e+004 0 Persistence Time: 3.92e+003 hr
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