Try beta.chemspider
1,2,4,5-Tetrakis(2-phenylvinyl)benzene
c1ccc(cc1)C=Cc2cc(c(cc2C=Cc3ccccc3)C=Cc4ccccc4)C=Cc5ccccc5
InChI=1S/C38H30/c1-5-13-31(14-6-1)21-25-35-29-37(27-23-33-17-9-3-10-18-33)38(28-24-34-19-11-4-12-20-34)30-36(35)26-22-32-15-7-2-8-16-32/h1-30H
ZEBILWOZHUEMFZ-UHFFFAOYSA-N
CSID:2925593, http://www.chemspider.com/Chemical-Structure.2925593.html (accessed 01:39, May 3, 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) = 12.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 630.22 (Adapted Stein & Brown method) Melting Pt (deg C): 273.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.19E-014 (Modified Grain method) Subcooled liquid VP: 1.19E-011 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): 3.906e-008 log Kow used: 12.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.8666e-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 : 1.50E-009 atm-m3/mole Group Method: 3.70E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.590E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 12.12 (KowWin est) Log Kaw used: -7.212 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.332 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0282 Biowin2 (Non-Linear Model) : 0.9642 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2118 (months ) Biowin4 (Primary Survey Model) : 3.1652 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5054 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9788 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.9407 BioHC Half-Life (days) : 8.7228 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.59E-009 Pa (1.19E-011 mm Hg) Log Koa (Koawin est ): 19.332 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.89E+003 Octanol/air (Koa) model: 5.27E+006 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 = 234.4560 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 264.8560 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 0.547 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 29.077 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 50.399998 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 100.799995 E-17 cm3/molecule-sec [Trans-] Half-Life = 0.546 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 0.273 Hrs (at 7E11 mol/cm3) [Trans-isomer] 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: 10.636 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: 12.12 (estimated) Volatilization from Water: Henry LC: 3.7E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.491E+007 hours (1.454E+006 days) Half-Life from Model Lake : 3.808E+008 hours (1.587E+007 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 0.00365 0.364 1000 Water 1.39 1.44e+003 1000 Soil 29.9 2.88e+003 1000 Sediment 68.7 1.3e+004 0 Persistence Time: 4.7e+003 hr
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