1,3-Diphenyl-2-benzofuran
c1ccc(cc1)c2c3ccccc3c(o2)c4ccccc4
InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
ZKSVYBRJSMBDMV-UHFFFAOYSA-N
CSID:20348, http://www.chemspider.com/Chemical-Structure.20348.html (accessed 02:21, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 433.72 (Adapted Stein & Brown method) Melting Pt (deg C): 162.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.8E-008 (Modified Grain method) Subcooled liquid VP: 1.24E-006 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): 0.1199 log Kow used: 6.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.012766 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.09E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.424E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.07 (KowWin est) Log Kaw used: -3.898 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.968 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8750 Biowin2 (Non-Linear Model) : 0.9409 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6458 (weeks-months) Biowin4 (Primary Survey Model) : 3.4675 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0230 Biowin6 (MITI Non-Linear Model): 0.0267 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0636 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): 0.000165 Pa (1.24E-006 mm Hg) Log Koa (Koawin est ): 9.968 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0181 Octanol/air (Koa) model: 0.00228 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.396 Mackay model : 0.592 Octanol/air (Koa) model: 0.154 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.0670 E-12 cm3/molecule-sec Half-Life = 0.202 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.419 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.494 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.481E+006 Log Koc: 6.171 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 = 3.971 (BCF = 9362) log Kow used: 6.07 (estimated) Volatilization from Water: Henry LC: 3.09E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 313.2 hours (13.05 days) Half-Life from Model Lake : 3555 hours (148.1 days) Removal In Wastewater Treatment: Total removal: 92.43 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.66 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 0.0773 4.84 1000 Water 3.73 900 1000 Soil 36 1.8e+003 1000 Sediment 60.2 8.1e+003 0 Persistence Time: 2.59e+003 hr
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