Try beta.chemspider
6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C
InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
DECIPOUIJURFOJ-UHFFFAOYSA-N
CSID:3177, http://www.chemspider.com/Chemical-Structure.3177.html (accessed 03:51, 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) = 3.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.84 (Adapted Stein & Brown method) Melting Pt (deg C): 104.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000132 (Modified Grain method) BP (exp database): 123-125 @ 2 mm Hg deg C Subcooled liquid VP: 0.000795 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): 17.46 log Kow used: 3.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20.093 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.42E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.162E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.87 (KowWin est) Log Kaw used: -5.005 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.875 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3583 Biowin2 (Non-Linear Model) : 0.1886 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3137 (weeks-months) Biowin4 (Primary Survey Model) : 3.3495 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2527 Biowin6 (MITI Non-Linear Model): 0.0866 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2501 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): 0.106 Pa (0.000795 mm Hg) Log Koa (Koawin est ): 8.875 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.83E-005 Octanol/air (Koa) model: 0.000184 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00102 Mackay model : 0.00226 Octanol/air (Koa) model: 0.0145 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 128.2352 E-12 cm3/molecule-sec Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.001 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 0.00164 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1190 Log Koc: 3.076 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 = 2.284 (BCF = 192.1) log Kow used: 3.87 (estimated) Volatilization from Water: Henry LC: 2.42E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3568 hours (148.7 days) Half-Life from Model Lake : 3.905E+004 hours (1627 days) Removal In Wastewater Treatment: Total removal: 24.51 percent Total biodegradation: 0.28 percent Total sludge adsorption: 24.22 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0431 1 1000 Water 17.3 900 1000 Soil 79.7 1.8e+003 1000 Sediment 3 8.1e+003 0 Persistence Time: 1.09e+003 hr
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