Try beta.chemspider
2-(2,4-Dichlorophenyl)-3-methyl-N-octyl-4-quinolinecarboxamide
CCCCCCCCNC(=O)c1c(c(nc2c1cccc2)c3ccc(cc3Cl)Cl)C
InChI=1S/C25H28Cl2N2O/c1-3-4-5-6-7-10-15-28-25(30)23-17(2)24(19-14-13-18(26)16-21(19)27)29-22-12-9-8-11-20(22)23/h8-9,11-14,16H,3-7,10,15H2,1-2H3,(H,28,30)
VQDKJKMCNKPMMO-UHFFFAOYSA-N
CSID:3823265, http://www.chemspider.com/Chemical-Structure.3823265.html (accessed 05:30, Jun 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
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 8.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 610.72 (Adapted Stein & Brown method) Melting Pt (deg C): 264.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.22E-014 (Modified Grain method) Subcooled liquid VP: 3.87E-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): 0.0001118 log Kow used: 8.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0013022 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.10E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.812E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.39 (KowWin est) Log Kaw used: -11.066 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.456 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5449 Biowin2 (Non-Linear Model) : 0.0991 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9753 (months ) Biowin4 (Primary Survey Model) : 3.2833 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0228 Biowin6 (MITI Non-Linear Model): 0.0035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7915 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): 5.16E-009 Pa (3.87E-011 mm Hg) Log Koa (Koawin est ): 19.456 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 581 Octanol/air (Koa) model: 7.01E+006 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 = 27.3903 E-12 cm3/molecule-sec Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.686 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 : 1.052E+007 Log Koc: 7.022 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 = 1.404 (BCF = 25.32) log Kow used: 8.39 (estimated) Volatilization from Water: Henry LC: 2.1E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.871E+009 hours (2.446E+008 days) Half-Life from Model Lake : 6.405E+010 hours (2.669E+009 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0144 9.37 1000 Water 1.2 1.44e+003 1000 Soil 40 2.88e+003 1000 Sediment 58.8 1.3e+004 0 Persistence Time: 5.91e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight