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N-{2-[(4-Methoxyphenyl)carbamoyl]phenyl}-2-phenoxybenzamide
COc1ccc(cc1)NC(=O)c2ccccc2NC(=O)c3ccccc3Oc4ccccc4
InChI=1S/C27H22N2O4/c1-32-20-17-15-19(16-18-20)28-26(30)22-11-5-7-13-24(22)29-27(31)23-12-6-8-14-25(23)33-21-9-3-2-4-10-21/h2-18H,1H3,(H,28,30)(H,29,31)
FEQPIPXFTUYDRG-UHFFFAOYSA-N
CSID:1052834, http://www.chemspider.com/Chemical-Structure.1052834.html (accessed 05:22, May 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) = 5.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 690.34 (Adapted Stein & Brown method) Melting Pt (deg C): 301.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.47E-016 (Modified Grain method) Subcooled liquid VP: 3.03E-013 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): 0.02774 log Kow used: 5.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00057707 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.68E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.137E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.62 (KowWin est) Log Kaw used: -13.634 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.254 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3510 Biowin2 (Non-Linear Model) : 0.9998 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0275 (months ) Biowin4 (Primary Survey Model) : 3.7851 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1915 Biowin6 (MITI Non-Linear Model): 0.0252 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4273 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): 4.04E-011 Pa (3.03E-013 mm Hg) Log Koa (Koawin est ): 19.254 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.43E+004 Octanol/air (Koa) model: 4.41E+006 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 = 32.8033 E-12 cm3/molecule-sec Half-Life = 0.326 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.913 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 : 5.49E+004 Log Koc: 4.740 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 = 3.630 (BCF = 4269) log Kow used: 5.62 (estimated) Volatilization from Water: Henry LC: 5.68E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.158E+012 hours (8.994E+010 days) Half-Life from Model Lake : 2.355E+013 hours (9.811E+011 days) Removal In Wastewater Treatment: Total removal: 89.62 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.86 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 0.00997 7.83 1000 Water 3.68 1.44e+003 1000 Soil 56.9 2.88e+003 1000 Sediment 39.4 1.3e+004 0 Persistence Time: 4.34e+003 hr
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