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2-[(4-Phenoxybenzoyl)amino]benzoate
[O-]C(=O)c1ccccc1NC(=O)c3ccc(Oc2ccccc2)cc3
InChI=1S/C20H15NO4/c22-19(21-18-9-5-4-8-17(18)20(23)24)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H,21,22)(H,23,24)/p-1
JGJOCGGZCJCKRX-UHFFFAOYSA-M
CSID:5325792, http://www.chemspider.com/Chemical-Structure.5325792.html (accessed 00:24, May 1, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 557.13 (Adapted Stein & Brown method) Melting Pt (deg C): 239.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.61E-012 (Modified Grain method) Subcooled liquid VP: 9.55E-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): 0.117 log Kow used: 5.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.6501 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.38E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.728E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.65 (KowWin est) Log Kaw used: -13.658 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.308 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2359 Biowin2 (Non-Linear Model) : 0.9994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4601 (weeks-months) Biowin4 (Primary Survey Model) : 3.6620 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5261 Biowin6 (MITI Non-Linear Model): 0.2927 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3106 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): 1.27E-007 Pa (9.55E-010 mm Hg) Log Koa (Koawin est ): 19.308 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 23.6 Octanol/air (Koa) model: 4.99E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.5233 E-12 cm3/molecule-sec Half-Life = 0.736 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.838 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 503.9 Log Koc: 2.702 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 = 0.750 (BCF = 5.623) log Kow used: 5.65 (estimated) Volatilization from Water: Henry LC: 5.38E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.987E+012 hours (8.279E+010 days) Half-Life from Model Lake : 2.168E+013 hours (9.031E+011 days) Removal In Wastewater Treatment: Total removal: 89.90 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.15 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 3.7e-006 17.7 1000 Water 4.68 900 1000 Soil 55.8 1.8e+003 1000 Sediment 39.5 8.1e+003 0 Persistence Time: 2.94e+003 hr
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