Try beta.chemspider
2-(4-Fluorophenyl)-2,4-dimethyl-1,2-dihydroquinoline
Fc1ccc(cc1)C3(/C=C(\c2c(cccc2)N3)C)C
InChI=1S/C17H16FN/c1-12-11-17(2,13-7-9-14(18)10-8-13)19-16-6-4-3-5-15(12)16/h3-11,19H,1-2H3
IVMYDVOSNGVGTM-UHFFFAOYSA-N
CSID:9207567, http://www.chemspider.com/Chemical-Structure.9207567.html (accessed 23:42, Apr 23, 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) = 4.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 353.75 (Adapted Stein & Brown method) Melting Pt (deg C): 130.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.45E-006 (Modified Grain method) Subcooled liquid VP: 0.000108 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): 3.81 log Kow used: 4.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8828 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.19E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.267E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.42 (KowWin est) Log Kaw used: -5.048 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.468 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6007 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8854 (months ) Biowin4 (Primary Survey Model) : 3.2339 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0414 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7721 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): 0.0144 Pa (0.000108 mm Hg) Log Koa (Koawin est ): 9.468 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000208 Octanol/air (Koa) model: 0.000721 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00747 Mackay model : 0.0164 Octanol/air (Koa) model: 0.0545 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 130.2385 E-12 cm3/molecule-sec Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.986 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): 0.0119 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.564E+004 Log Koc: 4.552 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 = 2.703 (BCF = 504.9) log Kow used: 4.42 (estimated) Volatilization from Water: Henry LC: 2.19E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4257 hours (177.4 days) Half-Life from Model Lake : 4.657E+004 hours (1940 days) Removal In Wastewater Treatment: Total removal: 51.76 percent Total biodegradation: 0.49 percent Total sludge adsorption: 51.27 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 0.0259 0.996 1000 Water 12.1 1.44e+003 1000 Soil 77.9 2.88e+003 1000 Sediment 9.92 1.3e+004 0 Persistence Time: 1.8e+003 hr
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