N,N'-[(3-Phenoxyphenyl)methylene]dibenzamide
c1ccc(cc1)C(=O)NC(c2cccc(c2)Oc3ccccc3)NC(=O)c4ccccc4
InChI=1S/C27H22N2O3/c30-26(20-11-4-1-5-12-20)28-25(29-27(31)21-13-6-2-7-14-21)22-15-10-18-24(19-22)32-23-16-8-3-9-17-23/h1-19,25H,(H,28,30)(H,29,31)
ZRJGGWLCQXVGMA-UHFFFAOYSA-N
CSID:1283691, http://www.chemspider.com/Chemical-Structure.1283691.html (accessed 01:23, Apr 19, 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) = 5.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 671.30 (Adapted Stein & Brown method) Melting Pt (deg C): 292.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.03E-015 (Modified Grain method) Subcooled liquid VP: 9.75E-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): 0.07061 log Kow used: 5.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.18431 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.109E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.27 (KowWin est) Log Kaw used: -10.935 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.205 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.4829 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1650 (months ) Biowin4 (Primary Survey Model) : 3.7408 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0501 Biowin6 (MITI Non-Linear Model): 0.0174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2472 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): 1.3E-010 Pa (9.75E-013 mm Hg) Log Koa (Koawin est ): 16.205 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.31E+004 Octanol/air (Koa) model: 3.94E+003 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 = 63.7602 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.013 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 : 4.707E+005 Log Koc: 5.673 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 = 3.355 (BCF = 2264) log Kow used: 5.27 (estimated) Volatilization from Water: Henry LC: 2.84E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.237E+009 hours (1.766E+008 days) Half-Life from Model Lake : 4.623E+010 hours (1.926E+009 days) Removal In Wastewater Treatment: Total removal: 84.60 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.87 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 0.0562 4.03 1000 Water 6.58 1.44e+003 1000 Soil 57.7 2.88e+003 1000 Sediment 35.7 1.3e+004 0 Persistence Time: 2.74e+003 hr
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