Try beta.chemspider
3-Methoxy-N-(2,3,4-trifluorophenyl)-2-naphthamide
Fc1ccc(c(F)c1F)NC(=O)c3cc2c(cccc2)cc3OC
InChI=1S/C18H12F3NO2/c1-24-15-9-11-5-3-2-4-10(11)8-12(15)18(23)22-14-7-6-13(19)16(20)17(14)21/h2-9H,1H3,(H,22,23)
LDJWUUFCPGKVSN-UHFFFAOYSA-N
CSID:6264930, http://www.chemspider.com/Chemical-Structure.6264930.html (accessed 04:19, Jul 8, 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) = 3.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 465.02 (Adapted Stein & Brown method) Melting Pt (deg C): 196.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.28E-009 (Modified Grain method) Subcooled liquid VP: 2.08E-007 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): 3.112 log Kow used: 3.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.35353 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.12E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.595E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.99 (KowWin est) Log Kaw used: -9.339 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.329 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.4981 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.1339 (recalcitrant) Biowin4 (Primary Survey Model) : 3.6927 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1667 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3968 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): 2.77E-005 Pa (2.08E-007 mm Hg) Log Koa (Koawin est ): 13.329 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.108 Octanol/air (Koa) model: 5.24 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.796 Mackay model : 0.896 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.9562 E-12 cm3/molecule-sec Half-Life = 0.243 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.920 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.846 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.324E+004 Log Koc: 4.122 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 = 2.376 (BCF = 237.6) log Kow used: 3.99 (estimated) Volatilization from Water: Henry LC: 1.12E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.515E+007 hours (3.965E+006 days) Half-Life from Model Lake : 1.038E+009 hours (4.325E+007 days) Removal In Wastewater Treatment: Total removal: 29.61 percent Total biodegradation: 0.32 percent Total sludge adsorption: 29.29 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 0.000123 5.84 1000 Water 4.07 4.32e+003 1000 Soil 94.2 8.64e+003 1000 Sediment 1.7 3.89e+004 0 Persistence Time: 8.09e+003 hr
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