Try beta.chemspider
2-Methyl-3-phenyl-4-quinolinecarboxylic acid
Cc1c(c(c2ccccc2n1)C(=O)O)c3ccccc3
InChI=1S/C17H13NO2/c1-11-15(12-7-3-2-4-8-12)16(17(19)20)13-9-5-6-10-14(13)18-11/h2-10H,1H3,(H,19,20)
GRHDYCQGEGLWCR-UHFFFAOYSA-N
CSID:203515, http://www.chemspider.com/Chemical-Structure.203515.html (accessed 14:20, Apr 24, 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) = 3.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 455.10 (Adapted Stein & Brown method) Melting Pt (deg C): 191.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.56E-009 (Modified Grain method) Subcooled liquid VP: 3.67E-007 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): 7.759 log Kow used: 3.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.87 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-012 atm-m3/mole Group Method: 1.44E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.929E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.99 (KowWin est) Log Kaw used: -10.320 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.310 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9818 Biowin2 (Non-Linear Model) : 0.9832 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6523 (weeks-months) Biowin4 (Primary Survey Model) : 3.4120 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4212 Biowin6 (MITI Non-Linear Model): 0.2241 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0892 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): 4.89E-005 Pa (3.67E-007 mm Hg) Log Koa (Koawin est ): 14.310 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0613 Octanol/air (Koa) model: 50.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.689 Mackay model : 0.831 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.3908 E-12 cm3/molecule-sec Half-Life = 0.939 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.268 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.76 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.047E+004 Log Koc: 4.020 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 = 0.500 (BCF = 3.162) log Kow used: 3.99 (estimated) Volatilization from Water: Henry LC: 1.44E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.597E+008 hours (2.749E+007 days) Half-Life from Model Lake : 7.197E+009 hours (2.999E+008 days) Removal In Wastewater Treatment: Total removal: 29.61 percent Total biodegradation: 0.32 percent Total sludge adsorption: 29.29 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 4.25e-005 22.5 1000 Water 11 900 1000 Soil 86.5 1.8e+003 1000 Sediment 2.52 8.1e+003 0 Persistence Time: 1.89e+003 hr
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