ChemSpider 2D Image | 1,1,1,3,3,3-Hexamethyl-2-(trifluoromethyl)-2-(trimethylsilyl)trisilane | C10H27F3Si4

1,1,1,3,3,3-Hexamethyl-2-(trifluoromethyl)-2-(trimethylsilyl)trisilane

  • Molecular FormulaC10H27F3Si4
  • Average mass316.659 Da
  • Monoisotopic mass316.114197 Da
  • ChemSpider ID9078453

More details:

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

1,1,1,3,3,3-Hexamethyl-2-(trifluormethyl)-2-(trimethylsilyl)trisilan [German] [ACD/IUPAC Name]
1,1,1,3,3,3-Hexamethyl-2-(trifluoromethyl)-2-(trimethylsilyl)trisilane [ACD/IUPAC Name]
1,1,1,3,3,3-Hexaméthyl-2-(trifluorométhyl)-2-(triméthylsilyl)trisilane [French] [ACD/IUPAC Name]
Trisilane, 1,1,1,3,3,3-hexamethyl-2-(trifluoromethyl)-2-(trimethylsilyl)- [ACD/Index Name]
536975-48-1 [RN]
TRIFLUOROSILYLTRIS(TRIMETHYSILYL)METHANE
TRIFLUOROTRIS(TRIMETHYLSILYL)METHYLSILANE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 203.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.2±3.0 kJ/mol
Flash Point: 76.8±30.1 °C
Index of Refraction: 1.390
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 351212.06
ACD/KOC (pH 5.5): 324408.13
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 351212.06
ACD/KOC (pH 7.4): 324408.13
Polar Surface Area: 0 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 14.6±3.0 dyne/cm
Molar Volume: 352.9±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) =  7.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  99.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -92.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  38.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.005503
       log Kow used: 7.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.1666e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.915E+003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0764
   Biowin2 (Non-Linear Model)     :   0.0008
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9864  (months      )
   Biowin4 (Primary Survey Model) :   3.1165  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1741
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1199
 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):  4.88E+003 Pa (36.6 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.15E-010 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.22E-008 
       Mackay model           :  4.92E-008 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.3464 E-12 cm3/molecule-sec
      Half-Life =     7.944 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    95.330 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.57E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.216E+004
      Log Koc:  4.345 

 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 = 4.373 (BCF = 2.358e+004)
       log Kow used: 7.32 (estimated)

 Volatilization from Water:
    Henry LC:  2.92E+003 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.816  hours
    Half-Life from Model Lake :        169  hours   (7.043 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    59.84  percent
    Total to Air:               39.99  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.56            191          1000       
   Water     2.08            1.44e+003    1000       
   Soil      0.202           2.88e+003    1000       
   Sediment  96.2            1.3e+004     0          
     Persistence Time: 3.17e+003 hr

Click to predict properties on the Chemicalize site


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