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N-(3-Fluorophenyl)-2-(4-methylphenoxy)acetamide
Cc1ccc(cc1)OCC(=O)Nc2cccc(c2)F
InChI=1S/C15H14FNO2/c1-11-5-7-14(8-6-11)19-10-15(18)17-13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H,17,18)
GUTPRTQAWUKARN-UHFFFAOYSA-N
CSID:587716, http://www.chemspider.com/Chemical-Structure.587716.html (accessed 16:49, Jul 7, 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) = 3.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.07 (Adapted Stein & Brown method) Melting Pt (deg C): 161.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.79E-007 (Modified Grain method) Subcooled liquid VP: 4.47E-006 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): 18.54 log Kow used: 3.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21.432 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.43E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.294E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.58 (KowWin est) Log Kaw used: -8.003 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.583 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2108 Biowin2 (Non-Linear Model) : 0.0034 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0321 (months ) Biowin4 (Primary Survey Model) : 3.7011 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4366 Biowin6 (MITI Non-Linear Model): 0.0064 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6630 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): 0.000596 Pa (4.47E-006 mm Hg) Log Koa (Koawin est ): 11.583 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00503 Octanol/air (Koa) model: 0.094 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.154 Mackay model : 0.287 Octanol/air (Koa) model: 0.883 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 46.3231 E-12 cm3/molecule-sec Half-Life = 0.231 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.771 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.22 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1767 Log Koc: 3.247 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 = 2.054 (BCF = 113.2) log Kow used: 3.58 (estimated) Volatilization from Water: Henry LC: 2.43E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.88E+006 hours (1.617E+005 days) Half-Life from Model Lake : 4.232E+007 hours (1.763E+006 days) Removal In Wastewater Treatment: Total removal: 14.98 percent Total biodegradation: 0.20 percent Total sludge adsorption: 14.78 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 0.00141 5.54 1000 Water 9.11 1.44e+003 1000 Soil 89.9 2.88e+003 1000 Sediment 0.96 1.3e+004 0 Persistence Time: 2.83e+003 hr
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