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2-(6-Methyl-2-pyridinyl)-1,1-diphenylethanol
OC(c1ccccc1)(c2ccccc2)Cc3nc(ccc3)C
InChI=1S/C20H19NO/c1-16-9-8-14-19(21-16)15-20(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14,22H,15H2,1H3
GYZYDTPOMFEMCE-UHFFFAOYSA-N
CSID:9646627, http://www.chemspider.com/Chemical-Structure.9646627.html (accessed 04:23, 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) = 4.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 417.74 (Adapted Stein & Brown method) Melting Pt (deg C): 157.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.42E-009 (Modified Grain method) Subcooled liquid VP: 5.56E-008 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): 68.94 log Kow used: 4.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 45.407 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.72E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.337E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.23 (KowWin est) Log Kaw used: -9.954 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.184 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6368 Biowin2 (Non-Linear Model) : 0.5721 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0277 (months ) Biowin4 (Primary Survey Model) : 3.1308 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0220 Biowin6 (MITI Non-Linear Model): 0.0156 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1549 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): 7.41E-006 Pa (5.56E-008 mm Hg) Log Koa (Koawin est ): 14.184 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.405 Octanol/air (Koa) model: 37.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.936 Mackay model : 0.97 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.8169 E-12 cm3/molecule-sec Half-Life = 0.722 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.663 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.953 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.084E+004 Log Koc: 4.784 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 = 2.557 (BCF = 360.6) log Kow used: 4.23 (estimated) Volatilization from Water: Henry LC: 2.72E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.662E+008 hours (1.526E+007 days) Half-Life from Model Lake : 3.995E+009 hours (1.664E+008 days) Removal In Wastewater Treatment: Total removal: 41.52 percent Total biodegradation: 0.41 percent Total sludge adsorption: 41.11 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 0.000236 17.3 1000 Water 8.17 1.44e+003 1000 Soil 87.6 2.88e+003 1000 Sediment 4.27 1.3e+004 0 Persistence Time: 2.98e+003 hr
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