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N-(8-Quinolinyl)tetradecanamide
CCCCCCCCCCCCCC(=O)Nc1cccc2c1nccc2
InChI=1S/C23H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-22(26)25-21-17-13-15-20-16-14-19-24-23(20)21/h13-17,19H,2-12,18H2,1H3,(H,25,26)
KXVKKRKOZODISC-UHFFFAOYSA-N
CSID:3429898, http://www.chemspider.com/Chemical-Structure.3429898.html (accessed 14:23, Jun 16, 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) = 7.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 521.52 (Adapted Stein & Brown method) Melting Pt (deg C): 222.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.99E-011 (Modified Grain method) Subcooled liquid VP: 7.8E-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): 0.0009588 log Kow used: 7.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.022706 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.36E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.914E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.94 (KowWin est) Log Kaw used: -9.016 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.956 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8973 Biowin2 (Non-Linear Model) : 0.9248 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6598 (weeks-months) Biowin4 (Primary Survey Model) : 3.8107 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4267 Biowin6 (MITI Non-Linear Model): 0.2830 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3898 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): 1.04E-006 Pa (7.8E-009 mm Hg) Log Koa (Koawin est ): 16.956 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.88 Octanol/air (Koa) model: 2.22E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.99 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 93.2438 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.377 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.196E+006 Log Koc: 6.623 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 = 2.019 (BCF = 104.4) log Kow used: 7.94 (estimated) Volatilization from Water: Henry LC: 2.36E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.671E+007 hours (1.946E+006 days) Half-Life from Model Lake : 5.096E+008 hours (2.123E+007 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.00966 2.75 1000 Water 1.68 900 1000 Soil 37.4 1.8e+003 1000 Sediment 60.9 8.1e+003 0 Persistence Time: 3.8e+003 hr
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