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2-(2-Naphthyloxy)-N-(3-nitrophenyl)acetamide
c1ccc2cc(ccc2c1)OCC(=O)Nc3cccc(c3)[N+](=O)[O-]
InChI=1S/C18H14N2O4/c21-18(19-15-6-3-7-16(11-15)20(22)23)12-24-17-9-8-13-4-1-2-5-14(13)10-17/h1-11H,12H2,(H,19,21)
MWCLATJWMYNHCL-UHFFFAOYSA-N
CSID:601188, http://www.chemspider.com/Chemical-Structure.601188.html (accessed 08:36, Jun 4, 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) = 4.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 528.73 (Adapted Stein & Brown method) Melting Pt (deg C): 226.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.57E-011 (Modified Grain method) Subcooled liquid VP: 5.11E-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): 0.4902 log Kow used: 4.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.73274 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.28E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.089E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.54 (KowWin est) Log Kaw used: -11.526 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.066 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6311 Biowin2 (Non-Linear Model) : 0.7032 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2050 (months ) Biowin4 (Primary Survey Model) : 3.5569 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0273 Biowin6 (MITI Non-Linear Model): 0.0054 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7916 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): 6.81E-007 Pa (5.11E-009 mm Hg) Log Koa (Koawin est ): 16.066 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.4 Octanol/air (Koa) model: 2.86E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 205.3580 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.625 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8627 Log Koc: 3.936 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 = 2.796 (BCF = 625.2) log Kow used: 4.54 (estimated) Volatilization from Water: Henry LC: 7.28E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.444E+010 hours (6.016E+008 days) Half-Life from Model Lake : 1.575E+011 hours (6.563E+009 days) Removal In Wastewater Treatment: Total removal: 58.12 percent Total biodegradation: 0.54 percent Total sludge adsorption: 57.58 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 8.27e-005 1.25 1000 Water 7.6 1.44e+003 1000 Soil 84.2 2.88e+003 1000 Sediment 8.23 1.3e+004 0 Persistence Time: 3.11e+003 hr
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