N-(9H-Fluoren-2-yl)-1,3-benzodioxole-5-carboxamide
c1ccc-2c(c1)Cc3c2ccc(c3)NC(=O)c4ccc5c(c4)OCO5
InChI=1S/C21H15NO3/c23-21(14-5-8-19-20(11-14)25-12-24-19)22-16-6-7-18-15(10-16)9-13-3-1-2-4-17(13)18/h1-8,10-11H,9,12H2,(H,22,23)
WZFAPAIVWZVRGR-UHFFFAOYSA-N
CSID:839202, http://www.chemspider.com/Chemical-Structure.839202.html (accessed 03:56, Apr 20, 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) = 4.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 519.44 (Adapted Stein & Brown method) Melting Pt (deg C): 221.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.95E-011 (Modified Grain method) Subcooled liquid VP: 8.82E-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): 0.9889 log Kow used: 4.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.072149 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-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.046E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.59 (KowWin est) Log Kaw used: -11.081 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.671 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1194 Biowin2 (Non-Linear Model) : 0.9978 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2260 (months ) Biowin4 (Primary Survey Model) : 3.6637 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2895 Biowin6 (MITI Non-Linear Model): 0.0822 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5061 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): 1.18E-006 Pa (8.82E-009 mm Hg) Log Koa (Koawin est ): 15.671 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.55 Octanol/air (Koa) model: 1.15E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.989 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 191.6373 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.670 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 14.460000 E-17 cm3/molecule-sec Half-Life = 0.079 Days (at 7E11 mol/cm3) Half-Life = 1.902 Hrs Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.105E+004 Log Koc: 4.323 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 = 2.835 (BCF = 684.1) log Kow used: 4.59 (estimated) Volatilization from Water: Henry LC: 2.03E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.234E+009 hours (2.181E+008 days) Half-Life from Model Lake : 5.71E+010 hours (2.379E+009 days) Removal In Wastewater Treatment: Total removal: 60.67 percent Total biodegradation: 0.56 percent Total sludge adsorption: 60.11 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 0.000129 0.786 1000 Water 7.49 1.44e+003 1000 Soil 83.4 2.88e+003 1000 Sediment 9.11 1.3e+004 0 Persistence Time: 3.13e+003 hr
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