Try beta.chemspider
1,1-Bis(4-methylphenyl)-2-phenyl-1,2-ethanediol
Cc1ccc(cc1)C(c2ccc(cc2)C)(C(c3ccccc3)O)O
InChI=1S/C22H22O2/c1-16-8-12-19(13-9-16)22(24,20-14-10-17(2)11-15-20)21(23)18-6-4-3-5-7-18/h3-15,21,23-24H,1-2H3
DJENFIFQSSNDSL-UHFFFAOYSA-N
CSID:2336907, http://www.chemspider.com/Chemical-Structure.2336907.html (accessed 23:53, Jul 5, 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) = 4.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 456.61 (Adapted Stein & Brown method) Melting Pt (deg C): 177.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.59E-011 (Modified Grain method) Subcooled liquid VP: 1.4E-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): 0.7126 log Kow used: 4.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3813 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.38E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.111E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.83 (KowWin est) Log Kaw used: -8.465 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.295 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8082 Biowin2 (Non-Linear Model) : 0.6974 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3157 (weeks-months) Biowin4 (Primary Survey Model) : 3.2322 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1736 Biowin6 (MITI Non-Linear Model): 0.0560 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0982 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): 1.87E-007 Pa (1.4E-009 mm Hg) Log Koa (Koawin est ): 13.295 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 16.1 Octanol/air (Koa) model: 4.84 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.1932 E-12 cm3/molecule-sec Half-Life = 0.248 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.972 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5093 Log Koc: 3.707 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 = 2.372 (BCF = 235.5) log Kow used: 4.83 (estimated) Volatilization from Water: Henry LC: 8.38E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.247E+007 hours (5.195E+005 days) Half-Life from Model Lake : 1.36E+008 hours (5.667E+006 days) Removal In Wastewater Treatment: Total removal: 71.60 percent Total biodegradation: 0.64 percent Total sludge adsorption: 70.96 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 0.107 5.94 1000 Water 11.2 900 1000 Soil 71.1 1.8e+003 1000 Sediment 17.6 8.1e+003 0 Persistence Time: 1.6e+003 hr
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