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1-Ethyl-6-methoxyquinolinium
CC[n+]1cccc2c1ccc(c2)OC
InChI=1S/C12H14NO/c1-3-13-8-4-5-10-9-11(14-2)6-7-12(10)13/h4-9H,3H2,1-2H3/q+1
OOGUQQIJHLLJDC-UHFFFAOYSA-N
CSID:112177, http://www.chemspider.com/Chemical-Structure.112177.html (accessed 07:27, Apr 25, 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) = 3.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 304.15 (Adapted Stein & Brown method) Melting Pt (deg C): 82.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000443 (Modified Grain method) Subcooled liquid VP: 0.00157 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): 82.15 log Kow used: 3.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 680.54 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.15E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.336E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.26 (KowWin est) Log Kaw used: -4.328 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.588 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7898 Biowin2 (Non-Linear Model) : 0.9298 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7250 (weeks-months) Biowin4 (Primary Survey Model) : 3.6533 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4469 Biowin6 (MITI Non-Linear Model): 0.4020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3084 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): 0.209 Pa (0.00157 mm Hg) Log Koa (Koawin est ): 7.588 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.43E-005 Octanol/air (Koa) model: 9.51E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000517 Mackay model : 0.00115 Octanol/air (Koa) model: 0.00076 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 129.8625 E-12 cm3/molecule-sec Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.988 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000831 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4178 Log Koc: 3.621 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 = 1.812 (BCF = 64.81) log Kow used: 3.26 (estimated) Volatilization from Water: Henry LC: 1.15E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 699.9 hours (29.16 days) Half-Life from Model Lake : 7751 hours (322.9 days) Removal In Wastewater Treatment: Total removal: 8.68 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.47 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0897 1.98 1000 Water 18.7 900 1000 Soil 80.5 1.8e+003 1000 Sediment 0.769 8.1e+003 0 Persistence Time: 1.04e+003 hr
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