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7-Methyl-N-(3-methylphenyl)-N-propylfuro[2,3-b]quinoline-2-carboxamide
CCCN(c1cccc(c1)C)C(=O)c2cc3cc4ccc(cc4nc3o2)C
InChI=1S/C23H22N2O2/c1-4-10-25(19-7-5-6-15(2)11-19)23(26)21-14-18-13-17-9-8-16(3)12-20(17)24-22(18)27-21/h5-9,11-14H,4,10H2,1-3H3
VSRYEVQMUIMOTC-UHFFFAOYSA-N
CSID:5053824, http://www.chemspider.com/Chemical-Structure.5053824.html (accessed 13:52, Apr 23, 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) = 5.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 523.07 (Adapted Stein & Brown method) Melting Pt (deg C): 223.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.36E-011 (Modified Grain method) Subcooled liquid VP: 7.13E-009 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): 0.02076 log Kow used: 5.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.76453 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.69E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.218E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.05 (KowWin est) Log Kaw used: -10.563 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.613 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8964 Biowin2 (Non-Linear Model) : 0.8537 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2031 (months ) Biowin4 (Primary Survey Model) : 3.3990 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0285 Biowin6 (MITI Non-Linear Model): 0.0126 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3618 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): 9.51E-007 Pa (7.13E-009 mm Hg) Log Koa (Koawin est ): 15.613 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.16 Octanol/air (Koa) model: 1.01E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.3662 E-12 cm3/molecule-sec Half-Life = 0.236 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.829 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.877E+005 Log Koc: 5.459 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 = 3.190 (BCF = 1547) log Kow used: 5.05 (estimated) Volatilization from Water: Henry LC: 6.69E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.657E+009 hours (6.904E+007 days) Half-Life from Model Lake : 1.808E+010 hours (7.531E+008 days) Removal In Wastewater Treatment: Total removal: 79.23 percent Total biodegradation: 0.69 percent Total sludge adsorption: 78.54 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 0.000469 5.66 1000 Water 5.97 1.44e+003 1000 Soil 73.7 2.88e+003 1000 Sediment 20.3 1.3e+004 0 Persistence Time: 3.55e+003 hr
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