Try beta.chemspider
3-(4-Biphenylyl)-3,4-dihydrobenzo[f]quinolin-1(2H)-one
c1ccc(cc1)c2ccc(cc2)C3CC(=O)c4c5ccccc5ccc4N3
InChI=1S/C25H19NO/c27-24-16-23(20-12-10-18(11-13-20)17-6-2-1-3-7-17)26-22-15-14-19-8-4-5-9-21(19)25(22)24/h1-15,23,26H,16H2
WFPGYQBYEFHYIE-UHFFFAOYSA-N
CSID:2376376, http://www.chemspider.com/Chemical-Structure.2376376.html (accessed 20:04, Jul 28, 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) = 5.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 540.67 (Adapted Stein & Brown method) Melting Pt (deg C): 231.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.51E-011 (Modified Grain method) Subcooled liquid VP: 2.53E-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): 0.1342 log Kow used: 5.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.024596 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.03E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.173E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.47 (KowWin est) Log Kaw used: -10.081 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.551 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4824 Biowin2 (Non-Linear Model) : 0.0749 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2915 (weeks-months) Biowin4 (Primary Survey Model) : 3.2179 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2341 Biowin6 (MITI Non-Linear Model): 0.0035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1338 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): 3.37E-007 Pa (2.53E-009 mm Hg) Log Koa (Koawin est ): 15.551 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.89 Octanol/air (Koa) model: 873 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.997 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 158.8483 E-12 cm3/molecule-sec Half-Life = 0.067 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.808 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.087E+006 Log Koc: 6.319 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 = 2.669 (BCF = 466.3) log Kow used: 5.47 (estimated) Volatilization from Water: Henry LC: 2.03E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.391E+008 hours (2.246E+007 days) Half-Life from Model Lake : 5.882E+009 hours (2.451E+008 days) Removal In Wastewater Treatment: Total removal: 87.89 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.15 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 0.0048 1.62 1000 Water 5.84 900 1000 Soil 58.9 1.8e+003 1000 Sediment 35.2 8.1e+003 0 Persistence Time: 2.57e+003 hr
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