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N-(1,2-Dihydro-5-acenaphthylenyl)-3-phenoxybenzamide
c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc4c5c3cccc5CC4
InChI=1S/C25H19NO2/c27-25(19-7-4-10-21(16-19)28-20-8-2-1-3-9-20)26-23-15-14-18-13-12-17-6-5-11-22(23)24(17)18/h1-11,14-16H,12-13H2,(H,26,27)
AVTVJXIHKBEKJV-UHFFFAOYSA-N
CSID:3268340, http://www.chemspider.com/Chemical-Structure.3268340.html (accessed 20:28, 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) = 6.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 551.62 (Adapted Stein & Brown method) Melting Pt (deg C): 236.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.87E-012 (Modified Grain method) Subcooled liquid VP: 1.32E-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): 0.007097 log Kow used: 6.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.033177 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.28E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.655E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.85 (KowWin est) Log Kaw used: -8.281 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.131 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0437 Biowin2 (Non-Linear Model) : 0.9896 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3013 (weeks-months) Biowin4 (Primary Survey Model) : 3.6079 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0912 Biowin6 (MITI Non-Linear Model): 0.0160 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8021 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): 1.76E-007 Pa (1.32E-009 mm Hg) Log Koa (Koawin est ): 15.131 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 17 Octanol/air (Koa) model: 332 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 274.9115 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.013 Min Ozone Reaction: OVERALL Ozone Rate Constant = 10.705000 E-17 cm3/molecule-sec Half-Life = 0.107 Days (at 7E11 mol/cm3) Half-Life = 2.569 Hrs Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.807E+005 Log Koc: 5.764 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 = 4.572 (BCF = 3.734e+004) log Kow used: 6.85 (estimated) Volatilization from Water: Henry LC: 1.28E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.744E+006 hours (3.643E+005 days) Half-Life from Model Lake : 9.539E+007 hours (3.975E+006 days) Removal In Wastewater Treatment: Total removal: 93.77 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.99 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 0.0103 0.685 1000 Water 2.23 900 1000 Soil 29.9 1.8e+003 1000 Sediment 67.9 8.1e+003 0 Persistence Time: 3.01e+003 hr
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