ChemSpider 2D Image | Trifluoro(~2~H)methane | CDF3

Trifluoro(2H)methane

  • Molecular FormulaCDF3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5288468
  • Non-standard isotope - Non-standard isotope


More details:






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

Methane-d, trifluoro- [ACD/Index Name]
Trifluor(2H)methan [German] [ACD/IUPAC Name]
Trifluoro(2H)methane [ACD/IUPAC Name]
Trifluoro(2H)méthane [French] [ACD/IUPAC Name]
558-22-5 [RN]
Fluoroform [ACD/IUPAC Name] [Wiki]
Fluoroform-d
Methane-d, trifluoro-(7CI,8CI,9CI)
Trifluoride
TRIFLUORO(H)METHANE
More...

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

Freon 23 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.58
    Log Kow (Exper. database match) =  0.64
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -74.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -171.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.69E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -155.1 deg C
    BP  (exp database):  -82.1 deg C
    VP  (exp database):  3.53E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6965
       log Kow used: 0.64 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4090 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1982)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12356 mg/L
    Wat Sol (Exper. database match) =  4090.00
       Exper. Ref:  HORVATH,AL (1982)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.80E-001  atm-m3/mole
   Group Method:   9.52E-002  atm-m3/mole
   Exper Database: 9.52E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.005E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.64  (exp database)
  Log Kaw used:  0.590  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.050
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7142
   Biowin2 (Non-Linear Model)     :   0.8823
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0444  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7467  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5053
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6702
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.71E+006 Pa (3.53E+004 mm Hg)
  Log Koa (Koawin est  ): 0.050
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.37E-013 
       Octanol/air (Koa) model:  2.75E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.3E-011 
       Mackay model           :  5.1E-011 
       Octanol/air (Koa) model:  2.2E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0016 E-12 cm3/molecule-sec
      Half-Life =  6637.975 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.7E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.284E-002  L/mol-sec
  Kb Half-Life at pH 8:     187.276  days   
  Kb Half-Life at pH 7:       5.127  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.64 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0952 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      0.859  hours   (51.54 min)
    Half-Life from Model Lake :      79.53  hours   (3.314 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.36  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.30  percent
    Total to Air:               97.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.7            8.28e+005    1000       
   Water     42.6            360          1000       
   Soil      0.667           720          1000       
   Sediment  0.0811          3.24e+003    0          
     Persistence Time: 145 hr




                    

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