ChemSpider 2D Image | Vinyltrichlorosilane | C2H3Cl3Si

Vinyltrichlorosilane

  • Molecular FormulaC2H3Cl3Si
  • Average mass161.490 Da
  • Monoisotopic mass159.906952 Da
  • ChemSpider ID6173

More details:






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

Vinyltrichlorosilane
(Trichlorosilyl)ethylene
200-917-8 [EINECS]
4-04-00-04258 [Beilstein]
75-94-5 [RN]
MFCD00000482 [MDL number]
Q423F9NPBA
Silane, trichloroethenyl- [ACD/Index Name]
Trichlor(vinyl)silan [German] [ACD/IUPAC Name]
trichloro(ethenyl)silane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

104876_ALDRICH [DBID]
95090_FLUKA [DBID]
A 150 [DBID]
A 150 (silane) [DBID]
BRN 1743440 [DBID]
HSDB 891 [DBID]
NSC 93872 [DBID]
NSC93872 [DBID]
UN1305 [DBID]
UNII:Q423F9NPBA [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      11-14-20/21/22-34 Alfa Aesar L04387
      16-23-26-30-33-36/37/39-45 Alfa Aesar L04387
      3 Alfa Aesar L04387
      CORROSIVE / FLAMMABLE / HARMFUL Alfa Aesar L04387
      Danger Alfa Aesar L04387
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar L04387
      H225-H311-H314-H302-H332-EUH014 Alfa Aesar L04387
      P210-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar L04387
  • Gas Chromatography
    • Retention Index (Kovats):

      649 (estimated with error: 89) NIST Spectra mainlib_69989, replib_109948, replib_284539, replib_151385
      682.6 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 75945; 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
      685 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 40 C; CAS no: 75945; 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):

      696.6 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 75945; 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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 91.5±0.0 °C at 760 mmHg
Vapour Pressure: 60.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.8±3.0 kJ/mol
Flash Point: 10.6±0.0 °C
Index of Refraction: 1.455
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1173.36
ACD/KOC (pH 5.5): 5478.98
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1173.36
ACD/KOC (pH 7.4): 5478.98
Polar Surface Area: 0 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 22.4±3.0 dyne/cm
Molar Volume: 126.5±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) =  2.36

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  81.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -65.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  53.8  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -95 deg C
    BP  (exp database):  91.5 deg C
    VP  (exp database):  6.59E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  647.7
       log Kow used: 2.36 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  23.296 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.37E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.765E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.36  (KowWin est)
  Log Kaw used:  -0.658  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.018
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6707
   Biowin2 (Non-Linear Model)     :   0.6716
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8423  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6147  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2503
   Biowin6 (MITI Non-Linear Model):   0.1140
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6155
 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):  8.79E+003 Pa (65.9 mm Hg)
  Log Koa (Koawin est  ): 3.018
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.41E-010 
       Octanol/air (Koa) model:  2.56E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.23E-008 
       Mackay model           :  2.73E-008 
       Octanol/air (Koa) model:  2.05E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.3000 E-12 cm3/molecule-sec
      Half-Life =     0.407 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.880 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 1.98E-008 (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 = 1.119 (BCF = 13.14)
       log Kow used: 2.36 (estimated)

 Volatilization from Water:
    Henry LC:  0.00537 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.435  hours
    Half-Life from Model Lake :      122.2  hours   (5.092 days)

 Removal In Wastewater Treatment:
    Total removal:              68.31  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     1.39  percent
    Total to Air:               66.88  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.47            9.19         1000       
   Water     58.7            360          1000       
   Soil      32.5            720          1000       
   Sediment  0.33            3.24e+003    0          
     Persistence Time: 108 hr




                    

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