Try beta.chemspider
4-Phenoxy-3-(trifluoromethyl)aniline
c1ccc(cc1)Oc2ccc(cc2C(F)(F)F)N
InChI=1S/C13H10F3NO/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10/h1-8H,17H2
GLVOXGPMYXJKGS-UHFFFAOYSA-N
CSID:13305340, http://www.chemspider.com/Chemical-Structure.13305340.html (accessed 03:32, Jul 2, 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) = 3.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 327.74 (Adapted Stein & Brown method) Melting Pt (deg C): 102.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.84E-005 (Modified Grain method) Subcooled liquid VP: 0.000442 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): 37.64 log Kow used: 3.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.4698 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.62E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.940E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.26 (KowWin est) Log Kaw used: -4.830 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.090 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1328 Biowin2 (Non-Linear Model) : 0.0160 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9556 (months ) Biowin4 (Primary Survey Model) : 3.1816 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1142 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1910 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): 0.0589 Pa (0.000442 mm Hg) Log Koa (Koawin est ): 8.090 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.09E-005 Octanol/air (Koa) model: 3.02E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00184 Mackay model : 0.00406 Octanol/air (Koa) model: 0.00241 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.2104 E-12 cm3/molecule-sec Half-Life = 0.504 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.051 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00295 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5064 Log Koc: 3.705 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 = 1.807 (BCF = 64.1) log Kow used: 3.26 (estimated) Volatilization from Water: Henry LC: 3.62E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2575 hours (107.3 days) Half-Life from Model Lake : 2.823E+004 hours (1176 days) Removal In Wastewater Treatment: Total removal: 8.64 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.47 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.269 12.1 1000 Water 14.4 1.44e+003 1000 Soil 84.6 2.88e+003 1000 Sediment 0.679 1.3e+004 0 Persistence Time: 1.67e+003 hr
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