ChemSpider 2D Image | Ethyltrimethylsilane | C5H14Si

Ethyltrimethylsilane

  • Molecular FormulaC5H14Si
  • Average mass102.250 Da
  • Monoisotopic mass102.086479 Da
  • ChemSpider ID121584

More details:

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

3439-38-1 [RN]
Ethyl(trimethyl)silan [German] [ACD/IUPAC Name]
Ethyl(trimethyl)silane [ACD/IUPAC Name]
Éthyl(triméthyl)silane [French] [ACD/IUPAC Name]
Ethyltrimethylsilane
Ethyl-Trimethyl-Silane
Silane, ethyltrimethyl- [ACD/Index Name]
(CH3)3SiC2H5
(Ethyltrimethylsilane)
[3439-38-1] [RN]
More...

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

CHEBI:37170 [DBID]
NSC111643 [DBID]
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      428 (estimated with error: 89) NIST Spectra mainlib_61670
      550 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Capillary; Start T: 160 C; CAS no: 3439381; Active phase: Apiezon L; Data type: Kovats RI; Authors: Peetre, I.-B.; Smith, B.E.F., Gas chromatographic investigation of organometallic compounds and their carbon analogues. IV. determination, calculation and correlation of Kovats retention indices for tetraalkylsilanes, J. Chromatogr., 90, 1974, 41-55.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      571 (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: 3439381; 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
      573 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.24 mm; Column length: 50 m; Column type: Capillary; CAS no: 3439381; Active phase: OV-101; Carrier gas: He; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Malamakhov, A.C., Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, , 1987, 101-106, In original 101-106.) NIST Spectra nist ri
      555.3 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 3439381; Active phase: E-301; Substrate: Silocel C.22 (60-65 mesh); Data type: Normal alkane RI; Authors: Pollard, F.H.; Nickless, G.; Uden, P.C., Chromatographic studies on group IVB elements. Part I. Redistribution reactions of the tetraalkyls, J. Chromatogr., 19, 1965, 28-56.) NIST Spectra nist ri
      550 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 3439381; Active phase: Apieson M; Substrate: Chromosorb G AW DMCS (80-100 mesh); Data type: Normal alkane RI; Authors: Ellren, O.; Peetre, I.B.; Smith, B.E.F., Gas chromatographic investigation of organometallic compounds and their carbon analogues. V. Use of refractive index in conjunction with Kovats retention index for the identification of organosilicon compounds, J. Chromatogr., 93, 1974, 383-392.) NIST Spectra nist ri

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

Density: 0.7±0.1 g/cm3
Boiling Point: 58.7±3.0 °C at 760 mmHg
Vapour Pressure: 219.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.9±3.0 kJ/mol
Flash Point: -26.2±10.6 °C
Index of Refraction: 1.379
Molar Refractivity: 33.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.65
ACD/KOC (pH 5.5): 2017.82
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.65
ACD/KOC (pH 7.4): 2017.82
Polar Surface Area: 0 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 15.3±3.0 dyne/cm
Molar Volume: 146.8±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) =  3.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  45.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -103.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  350  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  209
       log Kow used: 3.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.267 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.94E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.253E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.21  (KowWin est)
  Log Kaw used:  1.080  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.130
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6989
   Biowin2 (Non-Linear Model)     :   0.8259
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9732  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7002  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4590
   Biowin6 (MITI Non-Linear Model):   0.5202
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5438
 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):  4.64E+004 Pa (348 mm Hg)
  Log Koa (Koawin est  ): 2.130
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.47E-011 
       Octanol/air (Koa) model:  3.31E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.34E-009 
       Mackay model           :  5.17E-009 
       Octanol/air (Koa) model:  2.65E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.6435 E-12 cm3/molecule-sec
      Half-Life =     6.508 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    78.098 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.75E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  96.63
      Log Koc:  1.985 

 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 = 1.771 (BCF = 59.08)
       log Kow used: 3.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.294 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.034  hours
    Half-Life from Model Lake :      96.07  hours   (4.003 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.15  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.88  percent
    Total to Air:               95.24  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       45.3            156          1000       
   Water     49.3            360          1000       
   Soil      4.12            720          1000       
   Sediment  1.23            3.24e+003    0          
     Persistence Time: 125 hr

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