ChemSpider 2D Image | Trichlorosilane | HCl3Si

Trichlorosilane

  • Molecular FormulaHCl3Si
  • Average mass135.452 Da
  • Monoisotopic mass133.891312 Da
  • ChemSpider ID23196

More details:






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

silane, trichloro
Silane, trichloro- [ACD/Index Name]
Trichlorosilane [ACD/IUPAC Name] [Wiki]
Trichlorosilane [French] [ACD/IUPAC Name]
Trichlorsilan [German] [ACD/IUPAC Name]
10025-78-2 [RN]
233-042-5 [EINECS]
77359-11-6 [RN]
InChI=1/Cl3HSi/c1-4(2)3/h4
MFCD00011518 [MDL number]
More...

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

HSDB 890 [DBID]
UN1295 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      12-14-17-20/22-29-35 Alfa Aesar 14078
      2-7/9-16-26-36/37/39-43-45 Alfa Aesar 14078
      4.3 Alfa Aesar 14078
      7/9-16-26-36/37/39-43-45 Alfa Aesar 14078
      Danger Alfa Aesar 14078
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar 14078
      DANGER: WATER REACTIVE, FLAMMABLE, burns skin and eyes Alfa Aesar 14078
      H224-H250-H314-H302-H332-EUH014-EUH029 Alfa Aesar 14078
      P210-P303+P361+P353-P305+P351+P338-P405-P422a-P501a Alfa Aesar 14078
  • Gas Chromatography
    • Retention Index (Kovats):

      496.3 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 10025782; 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
      491 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 40 C; CAS no: 10025782; 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
    • Retention Index (Normal Alkane):

      466.6 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 10025782; 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:
Boiling Point: 31.8±9.0 °C at 760 mmHg
Vapour Pressure: 595.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.6±3.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.77
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:
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) =  1.46

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  490.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  192.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.3E-010  (Modified Grain method)
    Subcooled liquid VP: 4.71E-008 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4953
       log Kow used: 1.46 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  136.27 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]:  2.987E-014 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)         :   0.6831
   Biowin2 (Non-Linear Model)     :   0.7475
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8998  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6523  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3092
   Biowin6 (MITI Non-Linear Model):   0.2003
 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):  6.28E-006 Pa (4.71E-008 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.478 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.945 
       Mackay model           :  0.975 
       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): 0.96 (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 = 0.424 (BCF = 2.656)
       log Kow used: 1.46 (estimated)

 Volatilization from Water:
    Henry LC:  2.99E-014 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 2.282E+010  hours   (9.506E+008 days)
    Half-Life from Model Lake : 2.489E+011  hours   (1.037E+010 days)

 Removal In Wastewater Treatment:
    Total removal:               1.96  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.87  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.58e-005       1e+005       1000       
   Water     29.6            360          1000       
   Soil      70.3            720          1000       
   Sediment  0.069           3.24e+003    0          
     Persistence Time: 648 hr




                    

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