ChemSpider 2D Image | Hexamethyldisilane | C6H18Si2

Hexamethyldisilane

  • Molecular FormulaC6H18Si2
  • Average mass146.378 Da
  • Monoisotopic mass146.094696 Da
  • ChemSpider ID66675

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

Disilane, 1,1,1,2,2,2-hexamethyl- [ACD/Index Name]
Hexamethyldisilan [German] [ACD/IUPAC Name]
Hexamethyldisilane [ACD/IUPAC Name] [Wiki]
Hexaméthyldisilane [French] [ACD/IUPAC Name]
(CH3)6Si2
1,1,1,2,2,2-Hexamethyldisilane
1450-14-2 [RN]
215-911-0 [EINECS]
CH7280
DISILANE, HEXAMETHYL-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

217069_ALDRICH [DBID]
52617_FLUKA [DBID]
NSC294211 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      11-36/37-43 Alfa Aesar A13155
      3 Alfa Aesar A13155
      9-16-23-24-26-33-37 Alfa Aesar A13155
      Danger Alfa Aesar A13155
      DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar A13155
      H225-H319-H317-H335 Alfa Aesar A13155
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A13155
      R11,R36/37/38,R43 SynQuest 5180-1-05
      S9,S16,S23,S24/25,S26,S6/37/39,S45 SynQuest 5180-1-05
  • Gas Chromatography
    • Retention Index (Kovats):

      438 (estimated with error: 89) NIST Spectra mainlib_236663, replib_38104, replib_61239
      686.1 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 3.3 m; Column type: Packed; Start T: 130 C; CAS no: 1450142; Active phase: C78, Branched paraffin; Carrier gas: He; Data type: Kovats RI; Authors: Dallos, A.; Sisak, A.; Kulcsar, Z.; Kovats, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 904, 2000, 211-242.) NIST Spectra nist ri
      685.9 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 3.3 m; Column type: Packed; Start T: 130 C; CAS no: 1450142; Active phase: C78, Branched paraffin; Substrate: Chromosorb G HP; Data type: Kovats RI; Authors: Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 609, 1992, 229-259.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      698 (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: 1450142; 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
      699 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; CAS no: 1450142; 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: 0.7±0.1 g/cm3
Boiling Point: 113.5±9.0 °C at 760 mmHg
Vapour Pressure: 24.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.7±3.0 kJ/mol
Flash Point: 5.8±11.8 °C
Index of Refraction: 1.391
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.30
ACD/KOC (pH 5.5): 2591.63
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 412.30
ACD/KOC (pH 7.4): 2591.63
Polar Surface Area: 0 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 14.6±3.0 dyne/cm
Molar Volume: 199.1±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) =  4.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  61.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -97.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  20.8  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  13.5 deg C
    BP  (exp database):  113.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  24.14
       log Kow used: 4.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.052129 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]:  1.660E-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)         :   0.6779
   Biowin2 (Non-Linear Model)     :   0.7171
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8757  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6365  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2791
   Biowin6 (MITI Non-Linear Model):   0.1703
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3587
 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):  2.61E+003 Pa (19.6 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.15E-009 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.15E-008 
       Mackay model           :  9.18E-008 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8976 E-12 cm3/molecule-sec
      Half-Life =    11.916 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.67E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  224.7
      Log Koc:  2.352 

 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 = 2.467 (BCF = 293.4)
       log Kow used: 4.11 (estimated)

 Volatilization from Water:
    Henry LC:  0.166 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.239  hours
    Half-Life from Model Lake :        115  hours   (4.79 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.71  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    20.66  percent
    Total to Air:               77.97  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       33.1            286          1000       
   Water     32.9            360          1000       
   Soil      28.8            720          1000       
   Sediment  5.32            3.24e+003    0          
     Persistence Time: 187 hr




                    

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