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N-(3-Benzoylphenyl)-2-(2-naphthyl)acetamide
c1ccc(cc1)C(=O)c2cccc(c2)NC(=O)Cc3ccc4ccccc4c3
InChI=1S/C25H19NO2/c27-24(16-18-13-14-19-7-4-5-10-21(19)15-18)26-23-12-6-11-22(17-23)25(28)20-8-2-1-3-9-20/h1-15,17H,16H2,(H,26,27)
VOPCALHAYDPUCD-UHFFFAOYSA-N
CSID:1101073, http://www.chemspider.com/Chemical-Structure.1101073.html (accessed 20:22, Jul 5, 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) = 5.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 579.41 (Adapted Stein & Brown method) Melting Pt (deg C): 249.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.14E-013 (Modified Grain method) Subcooled liquid VP: 2.53E-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): 0.2046 log Kow used: 5.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.057436 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.75E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.148E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.14 (KowWin est) Log Kaw used: -12.145 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.285 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9733 Biowin2 (Non-Linear Model) : 0.9194 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2621 (weeks-months) Biowin4 (Primary Survey Model) : 3.4401 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0549 Biowin6 (MITI Non-Linear Model): 0.0109 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5542 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): 3.37E-008 Pa (2.53E-010 mm Hg) Log Koa (Koawin est ): 17.285 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 88.9 Octanol/air (Koa) model: 4.73E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 61.3843 E-12 cm3/molecule-sec Half-Life = 0.174 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.091 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.161E+005 Log Koc: 5.065 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 = 2.416 (BCF = 260.6) log Kow used: 5.14 (estimated) Volatilization from Water: Henry LC: 1.75E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.396E+010 hours (2.665E+009 days) Half-Life from Model Lake : 6.977E+011 hours (2.907E+010 days) Removal In Wastewater Treatment: Total removal: 81.68 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.97 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 0.000594 4.18 1000 Water 7.44 900 1000 Soil 69.6 1.8e+003 1000 Sediment 23 8.1e+003 0 Persistence Time: 2.35e+003 hr
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