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N-Benzyl-9-oxo-9H-fluorene-4-carboxamide
c1ccc(cc1)CNC(=O)c2cccc3c2-c4ccccc4C3=O
InChI=1S/C21H15NO2/c23-20-16-10-5-4-9-15(16)19-17(20)11-6-12-18(19)21(24)22-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,22,24)
IJOBHHRDJNYRIH-UHFFFAOYSA-N
CSID:4465439, http://www.chemspider.com/Chemical-Structure.4465439.html (accessed 00:10, Jul 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) = 4.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 535.86 (Adapted Stein & Brown method) Melting Pt (deg C): 229.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.14E-011 (Modified Grain method) Subcooled liquid VP: 3.36E-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): 0.1213 log Kow used: 4.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.096358 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.93E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.274E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.47 (KowWin est) Log Kaw used: -11.696 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.166 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9434 Biowin2 (Non-Linear Model) : 0.9306 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4520 (weeks-months) Biowin4 (Primary Survey Model) : 3.5837 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0672 Biowin6 (MITI Non-Linear Model): 0.0298 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0580 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-007 Pa (3.36E-009 mm Hg) Log Koa (Koawin est ): 16.166 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.7 Octanol/air (Koa) model: 3.6E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.0772 E-12 cm3/molecule-sec Half-Life = 0.533 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.393 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.001E+004 Log Koc: 4.301 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 = 1.902 (BCF = 79.71) log Kow used: 4.47 (estimated) Volatilization from Water: Henry LC: 4.93E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.102E+010 hours (8.759E+008 days) Half-Life from Model Lake : 2.293E+011 hours (9.556E+009 days) Removal In Wastewater Treatment: Total removal: 54.44 percent Total biodegradation: 0.51 percent Total sludge adsorption: 53.93 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 0.000136 12.8 1000 Water 10.1 900 1000 Soil 82.9 1.8e+003 1000 Sediment 7.06 8.1e+003 0 Persistence Time: 1.98e+003 hr
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