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4-Benzoyl-N-(dibenzo[b,d]furan-3-yl)benzamide
c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)Nc3ccc4c5ccccc5oc4c3
InChI=1S/C26H17NO3/c28-25(17-6-2-1-3-7-17)18-10-12-19(13-11-18)26(29)27-20-14-15-22-21-8-4-5-9-23(21)30-24(22)16-20/h1-16H,(H,27,29)
UMOALIWSKZJBQF-UHFFFAOYSA-N
CSID:2176264, http://www.chemspider.com/Chemical-Structure.2176264.html (accessed 17:44, Aug 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) = 5.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 613.08 (Adapted Stein & Brown method) Melting Pt (deg C): 265.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.75E-014 (Modified Grain method) Subcooled liquid VP: 3.36E-011 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): 0.002408 log Kow used: 5.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0025853 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.36E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.658E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.91 (KowWin est) Log Kaw used: -12.862 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.772 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0382 Biowin2 (Non-Linear Model) : 0.9767 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2214 (months ) Biowin4 (Primary Survey Model) : 3.5482 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1187 Biowin6 (MITI Non-Linear Model): 0.0217 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2544 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): 4.48E-009 Pa (3.36E-011 mm Hg) Log Koa (Koawin est ): 18.772 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 670 Octanol/air (Koa) model: 1.45E+006 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 = 28.4259 E-12 cm3/molecule-sec Half-Life = 0.376 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.515 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 : 1.614E+005 Log Koc: 5.208 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 = 3.011 (BCF = 1025) log Kow used: 5.91 (estimated) Volatilization from Water: Henry LC: 3.36E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.447E+011 hours (1.436E+010 days) Half-Life from Model Lake : 3.761E+012 hours (1.567E+011 days) Removal In Wastewater Treatment: Total removal: 91.73 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.96 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 0.000437 9.03 1000 Water 2.63 1.44e+003 1000 Soil 51.8 2.88e+003 1000 Sediment 45.6 1.3e+004 0 Persistence Time: 5.06e+003 hr
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