Try beta.chemspider
1,3,3-Triphenyl-1,3-dihydro-2-benzofuran-1-ol
c1ccc(cc1)C2(c3ccccc3C(O2)(c4ccccc4)O)c5ccccc5
InChI=1S/C26H20O2/c27-26(22-16-8-3-9-17-22)24-19-11-10-18-23(24)25(28-26,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-19,27H
WJEOSIAOQFJNER-UHFFFAOYSA-N
CSID:361801, http://www.chemspider.com/Chemical-Structure.361801.html (accessed 04:46, Jul 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) = 5.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 497.55 (Adapted Stein & Brown method) Melting Pt (deg C): 211.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.32E-012 (Modified Grain method) Subcooled liquid VP: 2.22E-010 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): 0.1623 log Kow used: 5.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.022796 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.91E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.855E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.86 (KowWin est) Log Kaw used: -10.697 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.557 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2431 Biowin2 (Non-Linear Model) : 0.0255 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0269 (months ) Biowin4 (Primary Survey Model) : 3.0200 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0792 Biowin6 (MITI Non-Linear Model): 0.0065 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2483 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): 2.96E-008 Pa (2.22E-010 mm Hg) Log Koa (Koawin est ): 16.557 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 101 Octanol/air (Koa) model: 8.85E+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 = 18.1808 E-12 cm3/molecule-sec Half-Life = 0.588 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.060 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 : 1.415E+005 Log Koc: 5.151 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 = 3.812 (BCF = 6486) log Kow used: 5.86 (estimated) Volatilization from Water: Henry LC: 4.91E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.276E+009 hours (9.485E+007 days) Half-Life from Model Lake : 2.483E+010 hours (1.035E+009 days) Removal In Wastewater Treatment: Total removal: 91.45 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.69 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 0.00692 14.1 1000 Water 2.8 1.44e+003 1000 Soil 52.2 2.88e+003 1000 Sediment 45 1.3e+004 0 Persistence Time: 4.9e+003 hr
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