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6H-Benzo[cd]pyrene
c1cc2ccc3ccc4cccc5c4c3c2c(c1)C5
InChI=1S/C19H12/c1-3-12-7-9-14-10-8-13-4-2-6-16-11-15(5-1)17(12)19(14)18(13)16/h1-10H,11H2
CFXWAPSYPXUYCO-UHFFFAOYSA-N
CSID:9152767, http://www.chemspider.com/Chemical-Structure.9152767.html (accessed 01:55, Apr 27, 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) = 5.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 414.00 (Adapted Stein & Brown method) Melting Pt (deg C): 154.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.8E-007 (Modified Grain method) Subcooled liquid VP: 3.79E-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): 0.02408 log Kow used: 5.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0041772 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.03E-006 atm-m3/mole Group Method: 1.44E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.364E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.78 (KowWin est) Log Kaw used: -4.081 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.861 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) : 0.0237 Biowin6 (MITI Non-Linear Model): 0.0344 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2400 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.6298 BioHC Half-Life (days) : 426.3618 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000505 Pa (3.79E-006 mm Hg) Log Koa (Koawin est ): 9.861 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00594 Octanol/air (Koa) model: 0.00178 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.177 Mackay model : 0.322 Octanol/air (Koa) model: 0.125 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 152.3006 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.843 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.249 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.266E+005 Log Koc: 5.630 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 = 3.750 (BCF = 5626) log Kow used: 5.78 (estimated) Volatilization from Water: Henry LC: 1.44E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6304 hours (262.7 days) Half-Life from Model Lake : 6.891E+004 hours (2871 days) Removal In Wastewater Treatment: Total removal: 90.94 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.18 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 0.0218 1.69 1000 Water 3.85 1.44e+003 1000 Soil 41.7 2.88e+003 1000 Sediment 54.4 1.3e+004 0 Persistence Time: 3.46e+003 hr
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