Try beta.chemspider
- Double-bond stereo
(1E,9E)-1,5,6,10-Tetraphenyl-1,9-decadiene-3,8-dione
c1ccc(cc1)/C=C/C(=O)CC(C(c2ccccc2)CC(=O)/C=C/c3ccccc3)c4ccccc4
InChI=1S/C34H30O2/c35-31(23-21-27-13-5-1-6-14-27)25-33(29-17-9-3-10-18-29)34(30-19-11-4-12-20-30)26-32(36)24-22-28-15-7-2-8-16-28/h1-24,33-34H,25-26H2/b23-21+,24-22+
WPCZNBIAAISDAR-MBALSZOMSA-N
CSID:4871534, http://www.chemspider.com/Chemical-Structure.4871534.html (accessed 09:55, Jul 6, 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) = 7.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 593.49 (Adapted Stein & Brown method) Melting Pt (deg C): 256.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.27E-013 (Modified Grain method) Subcooled liquid VP: 1.09E-010 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): 0.0001675 log Kow used: 7.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.7423e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.83E-013 atm-m3/mole Group Method: 2.23E-016 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.209E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.98 (KowWin est) Log Kaw used: -10.937 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.917 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1589 Biowin2 (Non-Linear Model) : 0.9775 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0526 (months ) Biowin4 (Primary Survey Model) : 3.0068 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1840 Biowin6 (MITI Non-Linear Model): 0.0041 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3884 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.45E-008 Pa (1.09E-010 mm Hg) Log Koa (Koawin est ): 18.917 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 206 Octanol/air (Koa) model: 2.03E+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 = 134.7738 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 148.4538 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 0.952 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 0.865 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 4.200000 E-17 cm3/molecule-sec [Trans-] Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 6.549 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 : 3.406E+007 Log Koc: 7.532 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 = 3.461 (BCF = 2893) log Kow used: 7.98 (estimated) Volatilization from Water: Henry LC: 2.23E-016 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.696E+012 hours (2.373E+011 days) Half-Life from Model Lake : 6.213E+013 hours (2.589E+012 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 6.93e-006 1.66 1000 Water 1.16 1.44e+003 1000 Soil 42.2 2.88e+003 1000 Sediment 56.6 1.3e+004 0 Persistence Time: 6.23e+003 hr
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