Try beta.chemspider
N-[2-(2,3-Dichlorophenoxy)ethyl]-2-quinolinecarboxamide
c1ccc2c(c1)ccc(n2)C(=O)NCCOc3cccc(c3Cl)Cl
InChI=1S/C18H14Cl2N2O2/c19-13-5-3-7-16(17(13)20)24-11-10-21-18(23)15-9-8-12-4-1-2-6-14(12)22-15/h1-9H,10-11H2,(H,21,23)
KSZPFCZZHLBWOX-UHFFFAOYSA-N
CSID:505877, http://www.chemspider.com/Chemical-Structure.505877.html (accessed 04:56, May 6, 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) = 5.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 527.48 (Adapted Stein & Brown method) Melting Pt (deg C): 225.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.91E-011 (Modified Grain method) Subcooled liquid VP: 5.5E-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): 0.2747 log Kow used: 5.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.1083 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.765E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.02 (KowWin est) Log Kaw used: -13.096 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.116 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5528 Biowin2 (Non-Linear Model) : 0.2293 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8754 (months ) Biowin4 (Primary Survey Model) : 3.2784 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1445 Biowin6 (MITI Non-Linear Model): 0.0149 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1652 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): 7.33E-007 Pa (5.5E-009 mm Hg) Log Koa (Koawin est ): 18.116 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.09 Octanol/air (Koa) model: 3.21E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.9019 E-12 cm3/molecule-sec Half-Life = 0.262 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.138 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.071E+004 Log Koc: 4.849 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 = 3.164 (BCF = 1458) log Kow used: 5.02 (estimated) Volatilization from Water: Henry LC: 1.96E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.677E+011 hours (2.366E+010 days) Half-Life from Model Lake : 6.194E+012 hours (2.581E+011 days) Removal In Wastewater Treatment: Total removal: 78.33 percent Total biodegradation: 0.68 percent Total sludge adsorption: 77.64 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 1.83e-006 6.28 1000 Water 6.08 1.44e+003 1000 Soil 74.5 2.88e+003 1000 Sediment 19.4 1.3e+004 0 Persistence Time: 3.53e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight