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Search term: MF = 'C_{8}H_{7}F_{2}NO_{2}'
ChemSpider 2D Image | 2,3-Difluoro-4-methoxybenzamide | C8H7F2NO2

2,3-Difluoro-4-methoxybenzamide

  • Molecular FormulaC8H7F2NO2
  • Average mass187.143 Da
  • Monoisotopic mass187.044479 Da
  • ChemSpider ID3099678

More details:

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

2,3-Difluor-4-methoxybenzamid [German] [ACD/IUPAC Name]
2,3-Difluoro-4-methoxybenzamide [ACD/IUPAC Name]
2,3-Difluoro-4-méthoxybenzamide [French] [ACD/IUPAC Name]
2,3-Difluoro-p-anisamide
886500-67-0 [RN]
Benzamide, 2,3-difluoro-4-methoxy- [ACD/Index Name]
ZVR BF CF DO1 [WLN]
98%
CA-4401
JS-4320
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 211.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.8±3.0 kJ/mol
    Flash Point: 81.6±27.3 °C
    Index of Refraction: 1.507
    Molar Refractivity: 41.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 3.97
    ACD/KOC (pH 5.5): 93.46
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 3.97
    ACD/KOC (pH 7.4): 93.46
    Polar Surface Area: 52 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 39.6±3.0 dyne/cm
    Molar Volume: 140.6±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) =  0.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  313.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  109.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000142  (Modified Grain method)
    Subcooled liquid VP: 0.000953 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):  1.958e+004
       log Kow used: 0.48 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10550 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.78E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.786E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.48  (KowWin est)
  Log Kaw used:  -8.138  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.618
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.6195
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8594  (months      )
   Biowin4 (Primary Survey Model) :   3.8872  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5288
   Biowin6 (MITI Non-Linear Model):   0.0002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1758
 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):  0.127 Pa (0.000953 mm Hg)
  Log Koa (Koawin est  ): 8.618
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.36E-005 
       Octanol/air (Koa) model:  0.000102 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000852 
       Mackay model           :  0.00189 
       Octanol/air (Koa) model:  0.00808 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.1178 E-12 cm3/molecule-sec
      Half-Life =     0.962 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.545 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00137 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  102.4
      Log Koc:  2.010 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.48 (estimated)

 Volatilization from Water:
    Henry LC:  1.78E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:   4.5E+006  hours   (1.875E+005 days)
    Half-Life from Model Lake : 4.909E+007  hours   (2.045E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       0.00201         23.1         1000       
   Water     47.4            1.44e+003    1000       
   Soil      52.5            2.88e+003    1000       
   Sediment  0.0949          1.3e+004     0          
     Persistence Time: 1.21e+003 hr

    Click to predict properties on the Chemicalize site


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