Try beta.chemspider
1,1,2,2-Tetrakis(4-methoxyphenyl)-1,2-ethanediol
COc1ccc(cc1)C(c2ccc(cc2)OC)(C(c3ccc(cc3)OC)(c4ccc(cc4)OC)O)O
InChI=1S/C30H30O6/c1-33-25-13-5-21(6-14-25)29(31,22-7-15-26(34-2)16-8-22)30(32,23-9-17-27(35-3)18-10-23)24-11-19-28(36-4)20-12-24/h5-20,31-32H,1-4H3
GJSYWZLTIIFQTD-UHFFFAOYSA-N
CSID:2699060, http://www.chemspider.com/Chemical-Structure.2699060.html (accessed 14:35, Jun 10, 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) = 5.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 602.16 (Adapted Stein & Brown method) Melting Pt (deg C): 260.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.11E-017 (Modified Grain method) Subcooled liquid VP: 3.04E-014 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): 0.01109 log Kow used: 5.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0062732 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.80E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.682E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.73 (KowWin est) Log Kaw used: -14.556 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.286 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6757 Biowin2 (Non-Linear Model) : 0.8384 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4672 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1473 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3139 Biowin6 (MITI Non-Linear Model): 0.0313 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9655 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): 4.05E-012 Pa (3.04E-014 mm Hg) Log Koa (Koawin est ): 20.286 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.4E+005 Octanol/air (Koa) model: 4.74E+007 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 = 106.7890 E-12 cm3/molecule-sec Half-Life = 0.100 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.202 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 : 3.543E+005 Log Koc: 5.549 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 = 3.714 (BCF = 5181) log Kow used: 5.73 (estimated) Volatilization from Water: Henry LC: 6.8E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.899E+013 hours (7.913E+011 days) Half-Life from Model Lake : 2.072E+014 hours (8.633E+012 days) Removal In Wastewater Treatment: Total removal: 90.58 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.82 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 0.00304 2.4 1000 Water 1.7 4.32e+003 1000 Soil 62.8 8.64e+003 1000 Sediment 35.5 3.89e+004 0 Persistence Time: 1.08e+004 hr
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