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8-Hexyltetraphene
CCCCCCc1cccc2c1cc3ccc4ccccc4c3c2
InChI=1S/C24H24/c1-2-3-4-5-9-18-11-8-12-20-17-24-21(16-23(18)20)15-14-19-10-6-7-13-22(19)24/h6-8,10-17H,2-5,9H2,1H3
MEKZGSBPYQRPFK-UHFFFAOYSA-N
CSID:40295, http://www.chemspider.com/Chemical-Structure.40295.html (accessed 23:52, Apr 23, 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) = 8.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 468.81 (Adapted Stein & Brown method) Melting Pt (deg C): 182.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.83E-009 (Modified Grain method) Subcooled liquid VP: 1.67E-007 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): 4.234e-005 log Kow used: 8.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8343e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.28E-005 atm-m3/mole Group Method: 1.17E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.719E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.52 (KowWin est) Log Kaw used: -3.031 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.551 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1046 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9328 (months ) Biowin4 (Primary Survey Model) : 2.8952 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0154 Biowin6 (MITI Non-Linear Model): 0.0276 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6288 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.8404 BioHC Half-Life (days) : 692.5461 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.23E-005 Pa (1.67E-007 mm Hg) Log Koa (Koawin est ): 11.551 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.135 Octanol/air (Koa) model: 0.0873 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.83 Mackay model : 0.915 Octanol/air (Koa) model: 0.875 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 130.9465 E-12 cm3/molecule-sec Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.980 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.872 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.55E+006 Log Koc: 6.932 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 = 2.722 (BCF = 527.7) log Kow used: 8.52 (estimated) Volatilization from Water: Henry LC: 1.17E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 90.26 hours (3.761 days) Half-Life from Model Lake : 1133 hours (47.2 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0179 1.96 1000 Water 1.38 1.44e+003 1000 Soil 30.7 2.88e+003 1000 Sediment 67.9 1.3e+004 0 Persistence Time: 4.78e+003 hr
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