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N-Butyl-2-(6,8-dichloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-phenylacetamide
CCCCN(C1=CC=CC=C1)C(=O)CC2=C(N=C3N2C=C(C=C3Cl)Cl)C4=CC=CC=C4
InChI=1S/C25H23Cl2N3O/c1-2-3-14-29(20-12-8-5-9-13-20)23(31)16-22-24(18-10-6-4-7-11-18)28-25-21(27)15-19(26)17-30(22)25/h4-13,15,17H,2-3,14,16H2,1H3
FGJLXSQONBXXOQ-UHFFFAOYSA-N
CSID:9457390, http://www.chemspider.com/Chemical-Structure.9457390.html (accessed 14:27, May 27, 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) = 6.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 632.34 (Adapted Stein & Brown method) Melting Pt (deg C): 274.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.87E-014 (Modified Grain method) Subcooled liquid VP: 1.05E-011 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): 0.001743 log Kow used: 6.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00078693 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.22E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.386E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.93 (KowWin est) Log Kaw used: -12.763 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.693 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7968 Biowin2 (Non-Linear Model) : 0.7797 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9996 (months ) Biowin4 (Primary Survey Model) : 3.2801 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3032 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6863 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): 1.4E-009 Pa (1.05E-011 mm Hg) Log Koa (Koawin est ): 19.693 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.14E+003 Octanol/air (Koa) model: 1.21E+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 = 38.2759 E-12 cm3/molecule-sec Half-Life = 0.279 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.353 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 : 9.206E+005 Log Koc: 5.964 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 = 4.635 (BCF = 4.315e+004) log Kow used: 6.93 (estimated) Volatilization from Water: Henry LC: 4.22E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.951E+011 hours (1.23E+010 days) Half-Life from Model Lake : 3.219E+012 hours (1.341E+011 days) Removal In Wastewater Treatment: Total removal: 93.81 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.03 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 0.00151 6.71 1000 Water 1.33 1.44e+003 1000 Soil 42.9 2.88e+003 1000 Sediment 55.7 1.3e+004 0 Persistence Time: 6.04e+003 hr
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