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ChemSpider 2D Image | Silicon tetrachloride | Cl4Si

Silicon tetrachloride

  • Molecular FormulaCl4Si
  • Average mass169.898 Da
  • Monoisotopic mass167.852341 Da
  • ChemSpider ID23201

More details:






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

Silicon tetrachloride [Wiki]
10026-04-7 [RN]
233-054-0 [EINECS]
MFCD00011229 [MDL number]
Silane, tetrachloro- [ACD/Index Name]
STC
Tetrachlorosilane [ACD/IUPAC Name] [Wiki]
Tétrachlorosilane [French] [ACD/IUPAC Name]
Tetrachlorsilan [German] [ACD/IUPAC Name]
[10026-04-7]
More...

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

96L75U0BM3 [DBID]
215120_ALDRICH [DBID]
249920_ALDRICH [DBID]
289388_ALDRICH [DBID]
CCRIS 1324 [DBID]
HSDB 683 [DBID]
UN1818 [DBID]
UNII:96L75U0BM3 [DBID]
UNII-96L75U0BM3 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      578 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 100 C; CAS no: 10026047; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
      590 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 150 C; CAS no: 10026047; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
      566.8 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 10026047; Active phase: Polymethylsiloxane, (PMS-20000); Carrier gas: He; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 27, 1972, 816-821.) NIST Spectra nist ri
      569 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 40 C; CAS no: 10026047; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Garzo, G.; Fekete, J.; Blazso, M., Determination of the gas chromatographic retention indices of various organometallic compounds, Acta Chim. Acad. Sci. Hung., 51(4), 1967, 359-369.) NIST Spectra nist ri
      558 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 1 m; Column type: Packed; Start T: 100 C; CAS no: 10026047; Active phase: Apiezon L; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
      568 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 1 m; Column type: Packed; Start T: 150 C; CAS no: 10026047; Active phase: Apiezon L; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      578 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; CAS no: 10026047; Active phase: SE-30; Data type: Normal alkane RI; Authors: Yu, X.; Yang, D., Predicting the Kovats retention index for alkoxyl silicon chlorides and sulfides on stationary phases of different polarity, Fenxi Huaxue, 33(1), 2005, 101-105.) NIST Spectra nist ri
      550.4 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 10026047; Active phase: Lucopren G (silicone elastomer); Carrier gas: N2; Substrate: Celite 545 (0.12-0.15 mm); Data type: Normal alkane RI; Authors: Wurst, M.; Churacek, J., Analyse von organosiliciumverbindungen. VI. Retentionsindices der organosiliciumverbindungen bie der gaschromatographie, Collect. Czech. Chem. Commun., 36, 1971, 3497-3506.) NIST Spectra nist ri

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

Density: 1.5±0.1 g/cm3
Boiling Point: 57.6±9.0 °C at 760 mmHg
Vapour Pressure: 229.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.7±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.462
Molar Refractivity: 30.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 24.8±3.0 dyne/cm
Molar Volume: 109.8±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) =  1.77

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  507.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  202.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  205  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -70 deg C
    BP  (exp database):  59 deg C
    VP  (exp database):  2.36E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1895
       log Kow used: 1.77 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  88.228 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.54E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.418E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.77  (KowWin est)
  Log Kaw used:  -1.201  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.971
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6667
   Biowin2 (Non-Linear Model)     :   0.6448
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8237  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6026  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2067
   Biowin6 (MITI Non-Linear Model):   0.0848
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  3.15E+004 Pa (236 mm Hg)
  Log Koa (Koawin est  ): 2.971
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.53E-011 
       Octanol/air (Koa) model:  2.3E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.44E-009 
       Mackay model           :  7.63E-009 
       Octanol/air (Koa) model:  1.84E-008 

 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): 5.54E-009 (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 = 0.663 (BCF = 4.603)
       log Kow used: 1.77 (estimated)

 Volatilization from Water:
    Henry LC:  0.00154 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.826  hours
    Half-Life from Model Lake :      129.2  hours   (5.384 days)

 Removal In Wastewater Treatment:
    Total removal:              39.70  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.37  percent
    Total to Air:               38.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       41              1e+005       1000       
   Water     37.2            360          1000       
   Soil      21.7            720          1000       
   Sediment  0.106           3.24e+003    0          
     Persistence Time: 185 hr




                    

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