N-(1-Naphthyl)-9H-xanthene-9-carboxamide
c1ccc2c(c1)cccc2NC(=O)C3c4ccccc4Oc5c3cccc5
InChI=1S/C24H17NO2/c26-24(25-20-13-7-9-16-8-1-2-10-17(16)20)23-18-11-3-5-14-21(18)27-22-15-6-4-12-19(22)23/h1-15,23H,(H,25,26)
FIMKHQTYVTUKQC-UHFFFAOYSA-N
CSID:874401, http://www.chemspider.com/Chemical-Structure.874401.html (accessed 04:21, Jun 6, 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) = 5.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 560.78 (Adapted Stein & Brown method) Melting Pt (deg C): 240.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.54E-012 (Modified Grain method) Subcooled liquid VP: 7.68E-010 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): 0.00423 log Kow used: 5.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0015831 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.90E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.870E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.91 (KowWin est) Log Kaw used: -10.797 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.707 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9770 Biowin2 (Non-Linear Model) : 0.9717 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2354 (months ) Biowin4 (Primary Survey Model) : 3.5548 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1021 Biowin6 (MITI Non-Linear Model): 0.0340 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0666 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): 1.02E-007 Pa (7.68E-010 mm Hg) Log Koa (Koawin est ): 16.707 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 29.3 Octanol/air (Koa) model: 1.25E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 150.8450 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.851 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.747E+006 Log Koc: 6.889 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 = 3.851 (BCF = 7092) log Kow used: 5.91 (estimated) Volatilization from Water: Henry LC: 3.9E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.814E+009 hours (1.173E+008 days) Half-Life from Model Lake : 3.07E+010 hours (1.279E+009 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 0.00178 1.7 1000 Water 2.68 1.44e+003 1000 Soil 50.8 2.88e+003 1000 Sediment 46.5 1.3e+004 0 Persistence Time: 4.91e+003 hr
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