Try beta.chemspider
N-Decyl-4-hydroxy-6,7-dimethoxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CCCCCCCCCCNC(=O)c1c(c2cc(c(cc2nc1O)OC)OC)O
InChI=1S/C22H32N2O5/c1-4-5-6-7-8-9-10-11-12-23-21(26)19-20(25)15-13-17(28-2)18(29-3)14-16(15)24-22(19)27/h13-14H,4-12H2,1-3H3,(H,23,26)(H2,24,25,27)
MJTCFFWUUDQIEH-UHFFFAOYSA-N
CSID:21347487, http://www.chemspider.com/Chemical-Structure.21347487.html (accessed 01:28, Apr 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) = 6.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 603.69 (Adapted Stein & Brown method) Melting Pt (deg C): 261.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.22E-015 (Modified Grain method) Subcooled liquid VP: 4.67E-013 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): 0.004822 log Kow used: 6.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.23134 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.78E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.347E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.76 (KowWin est) Log Kaw used: -13.709 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.469 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3690 Biowin2 (Non-Linear Model) : 0.9997 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5459 (weeks-months) Biowin4 (Primary Survey Model) : 3.9722 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6167 Biowin6 (MITI Non-Linear Model): 0.3823 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2723 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): 6.23E-011 Pa (4.67E-013 mm Hg) Log Koa (Koawin est ): 20.469 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.82E+004 Octanol/air (Koa) model: 7.23E+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 = 223.3568 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.575 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! 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 : 2.963E+005 Log Koc: 5.472 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 = 3.007 (BCF = 1016) log Kow used: 6.76 (estimated) Volatilization from Water: Henry LC: 4.78E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.463E+012 hours (1.026E+011 days) Half-Life from Model Lake : 2.687E+013 hours (1.12E+012 days) Removal In Wastewater Treatment: Total removal: 93.70 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.93 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 0.00427 1.15 1000 Water 2.02 900 1000 Soil 39 1.8e+003 1000 Sediment 59 8.1e+003 0 Persistence Time: 3.65e+003 hr
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