Found 1472 results

Search term: MF = 'C_{12}H_{10}FNO'
ChemSpider 2D Image | 3-(4-Fluorophenoxy)aniline | C12H10FNO

3-(4-Fluorophenoxy)aniline

  • Molecular FormulaC12H10FNO
  • Average mass203.212 Da
  • Monoisotopic mass203.074646 Da
  • ChemSpider ID11563898

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

203302-94-7 [RN]
3-(4-Fluorophenoxy)aniline [ACD/IUPAC Name]
3-(4-Fluorophénoxy)aniline [French] [ACD/IUPAC Name]
3-(4-fluorophenoxy)phenylamine
3-(4-Fluorphenoxy)anilin [German] [ACD/IUPAC Name]
Benzenamine, 3-(4-fluorophenoxy)- [ACD/Index Name]
1175928-10-5 [RN]
3-(4-FLUOROPHENOXY)ANILINE|3-(4-FLUOROPHENOXY)ANILINE
3-(4-fluorophenoxy)-phenylamine
3-(4-Fluoro-phenoxy)phenylamine
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 313.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.4±3.0 kJ/mol
    Flash Point: 143.1±22.3 °C
    Index of Refraction: 1.600
    Molar Refractivity: 56.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.92
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 55.75
    ACD/KOC (pH 5.5): 593.84
    ACD/LogD (pH 7.4): 2.68
    ACD/BCF (pH 7.4): 64.31
    ACD/KOC (pH 7.4): 685.07
    Polar Surface Area: 35 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 166.5±3.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  320.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  94.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000136  (Modified Grain method)
    Subcooled liquid VP: 0.00064 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):  60.04
       log Kow used: 3.33 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  279.42 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aromatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.86E-008  atm-m3/mole
   Group Method:   3.22E-007  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.057E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.33  (KowWin est)
  Log Kaw used:  -5.702  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.032
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2610
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1501  (months      )
   Biowin4 (Primary Survey Model) :   3.5367  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2282
   Biowin6 (MITI Non-Linear Model):   0.0019
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0272
 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):  0.0853 Pa (0.00064 mm Hg)
  Log Koa (Koawin est  ): 9.032
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.52E-005 
       Octanol/air (Koa) model:  0.000264 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00127 
       Mackay model           :  0.0028 
       Octanol/air (Koa) model:  0.0207 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.0000 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.642 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00204 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1126
      Log Koc:  3.052 

 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 = 1.866 (BCF = 73.48)
       log Kow used: 3.33 (estimated)

 Volatilization from Water:
    Henry LC:  3.22E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2593  hours   (108.1 days)
    Half-Life from Model Lake : 2.841E+004  hours   (1184 days)

 Removal In Wastewater Treatment:
    Total removal:               9.72  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:     9.55  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       0.0383          1.28         1000       
   Water     14.9            1.44e+003    1000       
   Soil      84.2            2.88e+003    1000       
   Sediment  0.836           1.3e+004     0          
     Persistence Time: 1.58e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement