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2-[2-(2-Biphenylylamino)-2-oxoethoxy]-N-(2-pyridinyl)benzamide
c1ccc(cc1)c2ccccc2NC(=O)COc3ccccc3C(=O)Nc4ccccn4
InChI=1S/C26H21N3O3/c30-25(28-22-14-6-4-12-20(22)19-10-2-1-3-11-19)18-32-23-15-7-5-13-21(23)26(31)29-24-16-8-9-17-27-24/h1-17H,18H2,(H,28,30)(H,27,29,31)
GVCNMANJUOEVKB-UHFFFAOYSA-N
CSID:1101277, http://www.chemspider.com/Chemical-Structure.1101277.html (accessed 23:58, May 9, 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) = 4.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 697.81 (Adapted Stein & Brown method) Melting Pt (deg C): 305.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.41E-016 (Modified Grain method) Subcooled liquid VP: 1.91E-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): 0.6783 log Kow used: 4.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.16974 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.83E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.158E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.11 (KowWin est) Log Kaw used: -15.554 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.664 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0717 Biowin2 (Non-Linear Model) : 0.9917 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9046 (months ) Biowin4 (Primary Survey Model) : 3.7109 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0564 Biowin6 (MITI Non-Linear Model): 0.0100 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8587 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): 2.55E-011 Pa (1.91E-013 mm Hg) Log Koa (Koawin est ): 19.664 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.18E+005 Octanol/air (Koa) model: 1.13E+007 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 = 38.4898 E-12 cm3/molecule-sec Half-Life = 0.278 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.335 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 : 3.482E+005 Log Koc: 5.542 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 = 2.463 (BCF = 290.7) log Kow used: 4.11 (estimated) Volatilization from Water: Henry LC: 6.83E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.764E+014 hours (7.35E+012 days) Half-Life from Model Lake : 1.924E+015 hours (8.018E+013 days) Removal In Wastewater Treatment: Total removal: 35.33 percent Total biodegradation: 0.36 percent Total sludge adsorption: 34.97 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 0.000342 6.67 1000 Water 8.35 1.44e+003 1000 Soil 88.4 2.88e+003 1000 Sediment 3.27 1.3e+004 0 Persistence Time: 2.95e+003 hr
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