Try beta.chemspider
N-[4-(Trifluoromethoxy)phenyl]-2-naphthamide
c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)OC(F)(F)F
InChI=1S/C18H12F3NO2/c19-18(20,21)24-16-9-7-15(8-10-16)22-17(23)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H,22,23)
BPWDXVXLRMKNRP-UHFFFAOYSA-N
CSID:4505292, http://www.chemspider.com/Chemical-Structure.4505292.html (accessed 04:59, 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) = 4.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 464.85 (Adapted Stein & Brown method) Melting Pt (deg C): 196.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.32E-009 (Modified Grain method) Subcooled liquid VP: 2.1E-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): 0.5018 log Kow used: 4.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.03371 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.56E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.884E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.92 (KowWin est) Log Kaw used: -8.643 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.563 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4115 Biowin2 (Non-Linear Model) : 0.0812 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8418 (months ) Biowin4 (Primary Survey Model) : 3.3779 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1909 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6035 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): 2.8E-005 Pa (2.1E-007 mm Hg) Log Koa (Koawin est ): 13.563 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.107 Octanol/air (Koa) model: 8.97 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.795 Mackay model : 0.896 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.9395 E-12 cm3/molecule-sec Half-Life = 0.346 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.148 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.845 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.168E+004 Log Koc: 4.067 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 = 3.090 (BCF = 1231) log Kow used: 4.92 (estimated) Volatilization from Water: Henry LC: 5.56E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.917E+007 hours (7.986E+005 days) Half-Life from Model Lake : 2.091E+008 hours (8.712E+006 days) Removal In Wastewater Treatment: Total removal: 75.01 percent Total biodegradation: 0.66 percent Total sludge adsorption: 74.35 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 0.00143 8.3 1000 Water 6.48 1.44e+003 1000 Soil 76.9 2.88e+003 1000 Sediment 16.6 1.3e+004 0 Persistence Time: 3.39e+003 hr
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