3-Fluoro-2(1H)-quinolinone
C1=CC=C2C(=C1)C=C(C(=N2)O)F
InChI=1S/C9H6FNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,(H,11,12)
FRFSUUWVTVDAJG-UHFFFAOYSA-N
CSID:9270105, http://www.chemspider.com/Chemical-Structure.9270105.html (accessed 17:55, May 31, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.06 (Adapted Stein & Brown method) Melting Pt (deg C): 116.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.09E-005 (Modified Grain method) Subcooled liquid VP: 0.000332 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): 4440 log Kow used: 1.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1930.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.27E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.977E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.37 (KowWin est) Log Kaw used: -7.285 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.655 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8800 Biowin2 (Non-Linear Model) : 0.9672 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7844 (weeks ) Biowin4 (Primary Survey Model) : 3.8178 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4098 Biowin6 (MITI Non-Linear Model): 0.0083 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1870 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): 0.0443 Pa (0.000332 mm Hg) Log Koa (Koawin est ): 8.655 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.78E-005 Octanol/air (Koa) model: 0.000111 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00244 Mackay model : 0.00539 Octanol/air (Koa) model: 0.0088 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 46.4923 E-12 cm3/molecule-sec Half-Life = 0.230 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.761 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.840000 E-17 cm3/molecule-sec Half-Life = 1.364 Days (at 7E11 mol/cm3) Half-Life = 32.743 Hrs Fraction sorbed to airborne particulates (phi): 0.00392 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 127 Log Koc: 2.104 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 = 0.358 (BCF = 2.281) log Kow used: 1.37 (estimated) Volatilization from Water: Henry LC: 1.27E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.888E+005 hours (2.454E+004 days) Half-Life from Model Lake : 6.424E+006 hours (2.677E+005 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 0.0259 4.73 1000 Water 31.2 360 1000 Soil 68.7 720 1000 Sediment 0.0697 3.24e+003 0 Persistence Time: 620 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight