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N-(4-Fluorophenyl)-2-(2-formylphenoxy)acetamide
c1ccc(c(c1)C=O)OCC(=O)Nc2ccc(cc2)F
InChI=1S/C15H12FNO3/c16-12-5-7-13(8-6-12)17-15(19)10-20-14-4-2-1-3-11(14)9-18/h1-9H,10H2,(H,17,19)
IOIGFNIGWKFCHT-UHFFFAOYSA-N
CSID:771529, http://www.chemspider.com/Chemical-Structure.771529.html (accessed 18:09, May 16, 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) = 2.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 440.49 (Adapted Stein & Brown method) Melting Pt (deg C): 183.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.89E-008 (Modified Grain method) Subcooled liquid VP: 8.45E-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): 79.08 log Kow used: 2.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 213.49 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.50E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.594E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.75 (KowWin est) Log Kaw used: -10.648 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.398 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4342 Biowin2 (Non-Linear Model) : 0.6718 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0983 (months ) Biowin4 (Primary Survey Model) : 3.9461 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7650 Biowin6 (MITI Non-Linear Model): 0.0471 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1687 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): 0.000113 Pa (8.45E-007 mm Hg) Log Koa (Koawin est ): 13.398 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0266 Octanol/air (Koa) model: 6.14 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.49 Mackay model : 0.681 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.4235 E-12 cm3/molecule-sec Half-Life = 0.330 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.959 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.585 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 219.9 Log Koc: 2.342 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 = 1.414 (BCF = 25.97) log Kow used: 2.75 (estimated) Volatilization from Water: Henry LC: 5.5E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.76E+009 hours (7.332E+007 days) Half-Life from Model Lake : 1.92E+010 hours (7.999E+008 days) Removal In Wastewater Treatment: Total removal: 4.05 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.94 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 6.76e-006 7.92 1000 Water 12.2 1.44e+003 1000 Soil 87.6 2.88e+003 1000 Sediment 0.174 1.3e+004 0 Persistence Time: 2.55e+003 hr
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