ChemSpider 2D Image | Methyltrifluorosilane | CH3F3Si

Methyltrifluorosilane

  • Molecular FormulaCH3F3Si
  • Average mass100.115 Da
  • Monoisotopic mass99.995613 Da
  • ChemSpider ID61121

More details:






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

373-74-0 [RN]
Methyltrifluorosilane
Silane, trifluoromethyl- [ACD/Index Name]
Trifluor(methyl)silan [German] [ACD/IUPAC Name]
Trifluoro(methyl)silane [ACD/IUPAC Name]
Trifluoro(méthyl)silane [French] [ACD/IUPAC Name]
Trifluoromethylsilane
206-770-6 [EINECS]
373-52-4 [RN]
Bromofluoromethane
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: -30.0±0.0 °C at 760 mmHg
Vapour Pressure: 4861.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 21.5±3.0 kJ/mol
Flash Point: -68.5±18.7 °C
Index of Refraction: 1.260
Molar Refractivity: 15.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.13
ACD/KOC (pH 5.5): 837.85
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.13
ACD/KOC (pH 7.4): 837.85
Polar Surface Area: 0 Å2
Polarizability: 6.3±0.5 10-24cm3
Surface Tension: 7.3±3.0 dyne/cm
Molar Volume: 97.1±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) =  1.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -57.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -154.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.84E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.433e+004
       log Kow used: 1.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  117.34 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.37E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.987E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.07  (KowWin est)
  Log Kaw used:  1.139  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.069
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6999
   Biowin2 (Non-Linear Model)     :   0.8302
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9779  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7033  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4668
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  8.71E+005 Pa (6.53E+003 mm Hg)
  Log Koa (Koawin est  ): -0.069
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.45E-012 
       Octanol/air (Koa) model:  2.09E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.24E-010 
       Mackay model           :  2.76E-010 
       Octanol/air (Koa) model:  1.68E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1496 E-12 cm3/molecule-sec
      Half-Life =    71.497 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.122 (BCF = 1.324)
       log Kow used: 1.07 (estimated)

 Volatilization from Water:
    Henry LC:  0.337 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.023  hours
    Half-Life from Model Lake :      95.06  hours   (3.961 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.24  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.29  percent
    Total to Air:               98.93  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55.8            1.72e+003    1000       
   Water     43.6            360          1000       
   Soil      0.547           720          1000       
   Sediment  0.0886          3.24e+003    0          
     Persistence Time: 141 hr




                    

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