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2-[2-[2,6-bis(o-tolyl)phenyl]phenyl]propan-2-ol
OC(c1ccccc1c3c(cccc3c2ccccc2C)c4ccccc4C)(C)C
InChI=1S/C29H28O/c1-20-12-5-7-14-22(20)24-17-11-18-25(23-15-8-6-13-21(23)2)28(24)26-16-9-10-19-27(26)29(3,4)30/h5-19,30H,1-4H3
XRYWPBXEJYNIKP-UHFFFAOYSA-N
CSID:9058975, http://www.chemspider.com/Chemical-Structure.9058975.html (accessed 10:33, Jul 6, 2024)
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) = 8.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 561.90 (Adapted Stein & Brown method) Melting Pt (deg C): 241.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.04E-014 (Modified Grain method) Subcooled liquid VP: 2.3E-012 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): 0.0008426 log Kow used: 8.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00011634 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.375E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.33 (KowWin est) Log Kaw used: -8.179 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.509 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4861 Biowin2 (Non-Linear Model) : 0.0417 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9699 (months ) Biowin4 (Primary Survey Model) : 2.9909 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1811 Biowin6 (MITI Non-Linear Model): 0.0026 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8323 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): 3.07E-010 Pa (2.3E-012 mm Hg) Log Koa (Koawin est ): 16.509 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.78E+003 Octanol/air (Koa) model: 7.93E+003 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 = 18.0181 E-12 cm3/molecule-sec Half-Life = 0.594 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.124 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 : 5.598E+006 Log Koc: 6.748 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 = 2.984 (BCF = 962.8) log Kow used: 8.33 (estimated) Volatilization from Water: Henry LC: 1.62E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.161E+006 hours (2.984E+005 days) Half-Life from Model Lake : 7.812E+007 hours (3.255E+006 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0722 14.2 1000 Water 1.3 1.44e+003 1000 Soil 34.7 2.88e+003 1000 Sediment 63.9 1.3e+004 0 Persistence Time: 5.21e+003 hr
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