Found 586 results

Search term: MF = 'C_{8}H_{9}FN_{2}O'
ChemSpider 2D Image | N-(5-Fluoro-6-methyl-2-pyridinyl)acetamide | C8H9FN2O

N-(5-Fluoro-6-methyl-2-pyridinyl)acetamide

  • Molecular FormulaC8H9FN2O
  • Average mass168.168 Da
  • Monoisotopic mass168.069885 Da
  • ChemSpider ID10541758

More details:

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

110919-70-5 [RN]
Acetamide, N-(5-fluoro-6-methyl-2-pyridinyl)- [ACD/Index Name]
N-(5-Fluor-6-methyl-2-pyridinyl)acetamid [German] [ACD/IUPAC Name]
N-(5-Fluoro-6-methyl-2-pyridinyl)acetamide [ACD/IUPAC Name]
N-(5-Fluoro-6-méthyl-2-pyridinyl)acétamide [French] [ACD/IUPAC Name]
N-(5-Fluoro-6-methylpyridin-2-yl)acetamide
6-(Acetylamino)-3-fluoro-2-methylpyridine
6-(Acetylamino)-3-fluoro-2-methylpyridine, 6-Acetamido-3-fluoro-2-methylpyridine
6-(Acetylamino)-3-fluoro-2-methylpyridine; 6-Acetamido-3-fluoro-2-methylpyridine
6-Acetamido-3-fluoro-2-methylpyridine
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: 301.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.1±3.0 kJ/mol
    Flash Point: 135.9±27.9 °C
    Index of Refraction: 1.551
    Molar Refractivity: 43.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 3.77
    ACD/KOC (pH 5.5): 89.92
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.77
    ACD/KOC (pH 7.4): 89.99
    Polar Surface Area: 42 Å2
    Polarizability: 17.2±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 136.2±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) =  1.22

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  318.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  115.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.51E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000738 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):  5700
       log Kow used: 1.22 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.3803e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.04E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.692E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.22  (KowWin est)
  Log Kaw used:  -9.371  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.591
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0323
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0774  (months      )
   Biowin4 (Primary Survey Model) :   3.7367  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3807
   Biowin6 (MITI Non-Linear Model):   0.0048
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2671
 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):  0.0984 Pa (0.000738 mm Hg)
  Log Koa (Koawin est  ): 10.591
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.05E-005 
       Octanol/air (Koa) model:  0.00957 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0011 
       Mackay model           :  0.00243 
       Octanol/air (Koa) model:  0.434 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.3142 E-12 cm3/molecule-sec
      Half-Life =     4.622 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    55.464 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00177 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  102
      Log Koc:  2.009 

 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 = 0.239 (BCF = 1.734)
       log Kow used: 1.22 (estimated)

 Volatilization from Water:
    Henry LC:  1.04E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 7.301E+007  hours   (3.042E+006 days)
    Half-Life from Model Lake : 7.964E+008  hours   (3.318E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               1.91  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  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       0.000105        111          1000       
   Water     40.1            1.44e+003    1000       
   Soil      59.9            2.88e+003    1000       
   Sediment  0.0909          1.3e+004     0          
     Persistence Time: 1.36e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement