ChemSpider 2D Image | Trimethylsilane | C3H10Si

Trimethylsilane

  • Molecular FormulaC3H10Si
  • Average mass74.197 Da
  • Monoisotopic mass74.055176 Da
  • ChemSpider ID63614

More details:






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

213-603-0 [EINECS]
Silane, trimethyl- [ACD/Index Name]
Trimethylsilan [German] [ACD/IUPAC Name]
Trimethylsilane [ACD/IUPAC Name]
Triméthylsilane [French] [ACD/IUPAC Name]
(CH3)3SiH
2-Methyl-2-silapropane
3MS
993-07-7 [RN]
MFCD00039791 [MDL number]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      373 (estimated with error: 89) NIST Spectra mainlib_19189, replib_63371
    • Retention Index (Normal Alkane):

      408 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 993077; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      377 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 250 C; CAS no: 993077; Active phase: Squalane; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Szekely, T.; Nefedov, O.M.; Garzo, G.; Shiryayav, V.I.; Fritz, D., Gas chromatographic investigation of the thermal decomposition of polydimethylsilylene, Acta Chim. Acad. Sci. Hung., 54(3-4), 1967, 241-254.) NIST Spectra nist ri

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

Density:
Boiling Point: 1.7±9.0 °C at 760 mmHg
Vapour Pressure: 1711.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 24.0±3.0 kJ/mol
Flash Point: -72.5±3.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.44
ACD/KOC (pH 5.5): 655.64
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.44
ACD/KOC (pH 7.4): 655.64
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -67.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -62.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.32E+004  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  152.4
       log Kow used: 3.45 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.37993 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]:  4.869E-001 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)         :   0.1604
   Biowin2 (Non-Linear Model)     :   0.0386
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3988  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2804  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6943
   Biowin6 (MITI Non-Linear Model):   0.8293
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1666
 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):  1.04E+006 Pa (7.77E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.9E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.05E-010 
       Mackay model           :  2.32E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.68E-010 (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]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.954 (BCF = 89.88)
       log Kow used: 3.45 (estimated)

 Volatilization from Water:
    Henry LC:  0.487 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:       0.88  hours   (52.80 min)
    Half-Life from Model Lake :      81.83  hours   (3.41 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.97  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     6.23  percent
    Total to Air:               93.71  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.6            1e+005       1000       
   Water     45.9            900          1000       
   Soil      0.555           1.8e+003     1000       
   Sediment  2.95            8.1e+003     0          
     Persistence Time: 170 hr




                    

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