1,1',1''-Benzene-1,3,5-triyltrinaphthalene
c1ccc2c(c1)cccc2c3cc(cc(c3)c4cccc5c4cccc5)c6cccc7c6cccc7
InChI=1S/C36H24/c1-4-16-31-25(10-1)13-7-19-34(31)28-22-29(35-20-8-14-26-11-2-5-17-32(26)35)24-30(23-28)36-21-9-15-27-12-3-6-18-33(27)36/h1-24H
ZVUZLHDATWCFQW-UHFFFAOYSA-N
CSID:15893928, http://www.chemspider.com/Chemical-Structure.15893928.html (accessed 12:44, Apr 19, 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) = 10.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 693.90 (Adapted Stein & Brown method) Melting Pt (deg C): 303.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.89E-016 (Modified Grain method) Subcooled liquid VP: 2.43E-013 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): 6.127e-008 log Kow used: 10.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.5659e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.27E-009 atm-m3/mole Group Method: 8.88E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.853E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.81 (KowWin est) Log Kaw used: -7.032 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.842 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5302 Biowin2 (Non-Linear Model) : 0.0300 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1902 (months ) Biowin4 (Primary Survey Model) : 3.1890 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4490 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4542 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7541 BioHC Half-Life (days) : 56.7632 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.24E-011 Pa (2.43E-013 mm Hg) Log Koa (Koawin est ): 17.842 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.26E+004 Octanol/air (Koa) model: 1.71E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 122.7962 E-12 cm3/molecule-sec Half-Life = 0.087 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.045 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1E+010 Log Koc: 10.114 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 = 0.500 (BCF = 3.162) log Kow used: 10.81 (estimated) Volatilization from Water: Henry LC: 8.88E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.409E+006 hours (5.87E+004 days) Half-Life from Model Lake : 1.537E+007 hours (6.404E+005 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0187 2.09 1000 Water 1.37 1.44e+003 1000 Soil 30.9 2.88e+003 1000 Sediment 67.7 1.3e+004 0 Persistence Time: 4.8e+003 hr
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