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N-(3-Phenoxypropyl)-1-naphthamide
c1ccc(cc1)OCCCNC(=O)c2cccc3c2cccc3
InChI=1S/C20H19NO2/c22-20(19-13-6-9-16-8-4-5-12-18(16)19)21-14-7-15-23-17-10-2-1-3-11-17/h1-6,8-13H,7,14-15H2,(H,21,22)
ONVBHYWJDWLJGT-UHFFFAOYSA-N
CSID:16938534, http://www.chemspider.com/Chemical-Structure.16938534.html (accessed 03:29, Jul 2, 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) = 4.60 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 496.25 (Adapted Stein & Brown method) Melting Pt (deg C): 210.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.62E-010 (Modified Grain method) Subcooled liquid VP: 3.41E-008 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): 1.337 log Kow used: 4.60 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.29639 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.62E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.088E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.60 (KowWin est) Log Kaw used: -9.830 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.430 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0723 Biowin2 (Non-Linear Model) : 0.9956 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4340 (weeks-months) Biowin4 (Primary Survey Model) : 3.6946 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3724 Biowin6 (MITI Non-Linear Model): 0.2056 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4028 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): 4.55E-006 Pa (3.41E-008 mm Hg) Log Koa (Koawin est ): 14.430 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.66 Octanol/air (Koa) model: 66.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.96 Mackay model : 0.981 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 62.4332 E-12 cm3/molecule-sec Half-Life = 0.171 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.056 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.971 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.87E+004 Log Koc: 4.688 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 = 2.845 (BCF = 699.5) log Kow used: 4.60 (estimated) Volatilization from Water: Henry LC: 3.62E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.826E+008 hours (1.178E+007 days) Half-Life from Model Lake : 3.083E+009 hours (1.285E+008 days) Removal In Wastewater Treatment: Total removal: 61.17 percent Total biodegradation: 0.56 percent Total sludge adsorption: 60.61 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 0.000899 4.11 1000 Water 9.75 900 1000 Soil 81.1 1.8e+003 1000 Sediment 9.18 8.1e+003 0 Persistence Time: 2.02e+003 hr
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