ChemSpider 2D Image | 1731132 | C3H9FSi

1731132

  • Molecular FormulaC3H9FSi
  • Average mass92.188 Da
  • Monoisotopic mass92.045753 Da
  • ChemSpider ID9485

More details:






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

1731132
206-997-0 [EINECS]
420-56-4 [RN]
Fluor(trimethyl)silan [German] [ACD/IUPAC Name]
Fluoro(trimethyl)silane [ACD/IUPAC Name]
Fluoro(triméthyl)silane [French] [ACD/IUPAC Name]
Fluorotrimethylsilane
Me3SiF [Formula]
MFCD00042064 [MDL number]
Silane, fluorotrimethyl- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

364533_ALDRICH [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 16.0±0.0 °C at 760 mmHg
Vapour Pressure: 1044.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 25.2±3.0 kJ/mol
Flash Point: -24.5±18.4 °C
Index of Refraction: 1.338
Molar Refractivity: 24.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.09
ACD/KOC (pH 5.5): 913.72
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.09
ACD/KOC (pH 7.4): 913.72
Polar Surface Area: 0 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 11.6±3.0 dyne/cm
Molar Volume: 119.2±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) =  2.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -5.68  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -129.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.25E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1729
       log Kow used: 2.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  50.943 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.54E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.332E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.17  (KowWin est)
  Log Kaw used:  1.016  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.154
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7037
   Biowin2 (Non-Linear Model)     :   0.8455
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9954  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7147  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4565
   Biowin6 (MITI Non-Linear Model):   0.0169
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5974
 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):  2.93E+005 Pa (2.2E+003 mm Hg)
  Log Koa (Koawin est  ): 1.154
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E-011 
       Octanol/air (Koa) model:  3.5E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.69E-010 
       Mackay model           :  8.18E-010 
       Octanol/air (Koa) model:  2.8E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.4488 E-12 cm3/molecule-sec
      Half-Life =    23.832 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.94E-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 = 0.970 (BCF = 9.322)
       log Kow used: 2.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.254 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      0.982  hours   (58.92 min)
    Half-Life from Model Lake :      91.22  hours   (3.801 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.99  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.61  percent
    Total to Air:               98.36  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       53.7            572          1000       
   Water     45.2            360          1000       
   Soil      0.908           720          1000       
   Sediment  0.195           3.24e+003    0          
     Persistence Time: 136 hr


 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -5.68  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -129.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.25E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1729
       log Kow used: 2.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  50.943 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.54E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.332E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.17  (KowWin est)
  Log Kaw used:  1.016  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.154
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7037
   Biowin2 (Non-Linear Model)     :   0.8455
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9954  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7147  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4565
   Biowin6 (MITI Non-Linear Model):   0.0169
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5974
 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):  2.93E+005 Pa (2.2E+003 mm Hg)
  Log Koa (Koawin est  ): 1.154
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E-011 
       Octanol/air (Koa) model:  3.5E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.69E-010 
       Mackay model           :  8.18E-010 
       Octanol/air (Koa) model:  2.8E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.4488 E-12 cm3/molecule-sec
      Half-Life =    23.832 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.94E-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 = 0.970 (BCF = 9.322)
       log Kow used: 2.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.254 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      0.982  hours   (58.92 min)
    Half-Life from Model Lake :      91.22  hours   (3.801 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.99  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.61  percent
    Total to Air:               98.36  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       53.7            572          1000       
   Water     45.2            360          1000       
   Soil      0.908           720          1000       
   Sediment  0.195           3.24e+003    0          
     Persistence Time: 136 hr




                    

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