Try beta.chemspider
1,1',1''-(1-Propene-1,1,2-triyl)tribenzene
CC(=C(c1ccccc1)c2ccccc2)c3ccccc3
InChI=1S/C21H18/c1-17(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
FLTIZNYOOOPPHQ-UHFFFAOYSA-N
CSID:3417659, http://www.chemspider.com/Chemical-Structure.3417659.html (accessed 06:14, Apr 25, 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) = 6.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 386.86 (Adapted Stein & Brown method) Melting Pt (deg C): 105.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.8E-006 (Modified Grain method) Subcooled liquid VP: 1.73E-005 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): 0.128 log Kow used: 6.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.035335 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.68E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.782E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.03 (KowWin est) Log Kaw used: -3.450 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.480 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0031 Biowin2 (Non-Linear Model) : 0.9897 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6677 (weeks-months) Biowin4 (Primary Survey Model) : 3.4723 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0315 Biowin6 (MITI Non-Linear Model): 0.0305 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0204 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7708 BioHC Half-Life (days) : 5.8990 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00231 Pa (1.73E-005 mm Hg) Log Koa (Koawin est ): 9.480 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0013 Octanol/air (Koa) model: 0.000741 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0449 Mackay model : 0.0942 Octanol/air (Koa) model: 0.056 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 115.6355 E-12 cm3/molecule-sec Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.110 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1965.599854 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 0.840 Min Fraction sorbed to airborne particulates (phi): 0.0696 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.356E+006 Log Koc: 6.132 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 = 3.946 (BCF = 8824) log Kow used: 6.03 (estimated) Volatilization from Water: Henry LC: 8.68E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 112.6 hours (4.691 days) Half-Life from Model Lake : 1366 hours (56.92 days) Removal In Wastewater Treatment: Total removal: 92.28 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.50 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000277 0.0139 1000 Water 3.96 900 1000 Soil 35.3 1.8e+003 1000 Sediment 60.7 8.1e+003 0 Persistence Time: 2.45e+003 hr
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