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Ethyl 4-(decylamino)-2-oxo-1,2-dihydro-3-quinolinecarboxylate
CCCCCCCCCCNc1c2ccccc2[nH]c(=O)c1C(=O)OCC
InChI=1S/C22H32N2O3/c1-3-5-6-7-8-9-10-13-16-23-20-17-14-11-12-15-18(17)24-21(25)19(20)22(26)27-4-2/h11-12,14-15H,3-10,13,16H2,1-2H3,(H2,23,24,25)
BMPOOZWDLVEBFC-UHFFFAOYSA-N
CSID:3475044, http://www.chemspider.com/Chemical-Structure.3475044.html (accessed 05:21, May 10, 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) = 4.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 530.14 (Adapted Stein & Brown method) Melting Pt (deg C): 226.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.23E-011 (Modified Grain method) Subcooled liquid VP: 4.7E-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): 0.3083 log Kow used: 4.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5048 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Aliphatic Amines Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.96E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.135E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.88 (KowWin est) Log Kaw used: -12.488 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.368 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2168 Biowin2 (Non-Linear Model) : 0.9994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7847 (weeks ) Biowin4 (Primary Survey Model) : 4.0570 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6354 Biowin6 (MITI Non-Linear Model): 0.4094 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0187 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.27E-007 Pa (4.7E-009 mm Hg) Log Koa (Koawin est ): 17.368 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.79 Octanol/air (Koa) model: 5.73E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 134.7433 E-12 cm3/molecule-sec Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.953 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.08E+004 Log Koc: 4.489 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.954E-003 L/mol-sec Kb Half-Life at pH 8: 11.238 years Kb Half-Life at pH 7: 112.381 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.056 (BCF = 113.9) log Kow used: 4.88 (estimated) Volatilization from Water: Henry LC: 7.96E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.42E+011 hours (5.915E+009 days) Half-Life from Model Lake : 1.549E+012 hours (6.453E+010 days) Removal In Wastewater Treatment: Total removal: 73.54 percent Total biodegradation: 0.65 percent Total sludge adsorption: 72.89 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 3.5e-005 1.66 1000 Water 13.3 360 1000 Soil 74.9 720 1000 Sediment 11.8 3.24e+003 0 Persistence Time: 878 hr
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