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4-Methyl-1,1,4-triphenyl-1-hexanol
CCC(C)(CCC(c1ccccc1)(c2ccccc2)O)c3ccccc3
InChI=1S/C25H28O/c1-3-24(2,21-13-7-4-8-14-21)19-20-25(26,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,26H,3,19-20H2,1-2H3
ROQCRYGAICSMOD-UHFFFAOYSA-N
CSID:3405170, http://www.chemspider.com/Chemical-Structure.3405170.html (accessed 21:53, May 9, 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) = 7.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 447.13 (Adapted Stein & Brown method) Melting Pt (deg C): 171.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.27E-010 (Modified Grain method) Subcooled liquid VP: 7.42E-009 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): 0.0149 log Kow used: 7.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0050451 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.76E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.906E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.22 (KowWin est) Log Kaw used: -6.499 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.719 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5999 Biowin2 (Non-Linear Model) : 0.5169 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0797 (months ) Biowin4 (Primary Survey Model) : 3.0585 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0948 Biowin6 (MITI Non-Linear Model): 0.0295 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6905 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): 9.89E-007 Pa (7.42E-009 mm Hg) Log Koa (Koawin est ): 13.719 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.03 Octanol/air (Koa) model: 12.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.2892 E-12 cm3/molecule-sec Half-Life = 0.527 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.326 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.235E+005 Log Koc: 5.795 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 = 4.515 (BCF = 3.272e+004) log Kow used: 7.22 (estimated) Volatilization from Water: Henry LC: 7.76E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.4E+005 hours (5835 days) Half-Life from Model Lake : 1.528E+006 hours (6.366E+004 days) Removal In Wastewater Treatment: Total removal: 93.92 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.14 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 0.0673 12.7 1000 Water 1.4 1.44e+003 1000 Soil 35.1 2.88e+003 1000 Sediment 63.4 1.3e+004 0 Persistence Time: 5.12e+003 hr
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