Try beta.chemspider
9-Fluoro-5-(4-methoxyphenyl)-2,2,4-trimethyl-2,5-dihydro-1H-chromeno[3,4-f]quinoline
CC1=CC(NC2=C1C3=C(C=C2)C4=C(C=CC(=C4)F)OC3C5=CC=C(C=C5)OC)(C)C
InChI=1S/C26H24FNO2/c1-15-14-26(2,3)28-21-11-10-19-20-13-17(27)7-12-22(20)30-25(24(19)23(15)21)16-5-8-18(29-4)9-6-16/h5-14,25,28H,1-4H3
KVTIALKVENTGTL-UHFFFAOYSA-N
CSID:8915146, http://www.chemspider.com/Chemical-Structure.8915146.html (accessed 07:00, Jul 6, 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) = 6.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 499.79 (Adapted Stein & Brown method) Melting Pt (deg C): 212.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.82E-010 (Modified Grain method) Subcooled liquid VP: 2.78E-008 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): 0.01335 log Kow used: 6.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0095886 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.93E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.116E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.27 (KowWin est) Log Kaw used: -7.794 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.064 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0767 Biowin2 (Non-Linear Model) : 0.0006 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8981 (months ) Biowin4 (Primary Survey Model) : 3.0741 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2923 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0071 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): 3.71E-006 Pa (2.78E-008 mm Hg) Log Koa (Koawin est ): 14.064 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.809 Octanol/air (Koa) model: 28.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.967 Mackay model : 0.985 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 347.5108 E-12 cm3/molecule-sec Half-Life = 0.031 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.161 Min Ozone Reaction: OVERALL Ozone Rate Constant = 24.473999 E-17 cm3/molecule-sec Half-Life = 0.047 Days (at 7E11 mol/cm3) Half-Life = 1.124 Hrs Fraction sorbed to airborne particulates (phi): 0.976 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.709E+005 Log Koc: 5.233 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 = 4.125 (BCF = 1.334e+004) log Kow used: 6.27 (estimated) Volatilization from Water: Henry LC: 3.93E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.985E+006 hours (1.244E+005 days) Half-Life from Model Lake : 3.256E+007 hours (1.357E+006 days) Removal In Wastewater Treatment: Total removal: 93.02 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.24 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 0.00454 0.446 1000 Water 2.28 1.44e+003 1000 Soil 35.5 2.88e+003 1000 Sediment 62.2 1.3e+004 0 Persistence Time: 4.24e+003 hr
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