ChemSpider 2D Image | Hexamethyldisilazane | C6H19NSi2


  • Molecular FormulaC6H19NSi2
  • Average mass161.393 Da
  • Monoisotopic mass161.105606 Da
  • ChemSpider ID13238

More details:

Featured data source

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

1,1,1-Trimethyl-N-(trimethylsilyl)silanamin [German] [ACD/IUPAC Name]
1,1,1-Trimethyl-N-(trimethylsilyl)silanamine [ACD/IUPAC Name]
1,1,1-Triméthyl-N-(triméthylsilyl)silanamine [French] [ACD/IUPAC Name]
213-668-5 [EINECS]
999-97-3 [RN]
Bis(trimethylsilyl)amine [Wiki]
disilazane, hexamethyl-

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

52619_FLUKA [DBID]
86944_FLUKA [DBID]
AI3-51467 [DBID]
HSDB 7226 [DBID]
NSC 93895 [DBID]
NSC252161 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Flammable - note low flash point and wide explosion limits. Incompatible with strong oxidizing agents, strong acids, water, alcohols. OU Chemical Safety Data (No longer updated) More details
    • Safety:

      11-20/21/22-34 Alfa Aesar A15139, L16519, 42039
      16-26-33-36/37/39-45-60 Alfa Aesar A15139
      16-26-36/37/39-45 Alfa Aesar 42039
      3 Alfa Aesar A15139, L16519
      9-16-20-23-26-33-36/37/39-45-60 Alfa Aesar A15139, L16519
      9-16-26-36/37/39-45 Alfa Aesar L16519
      Danger Alfa Aesar A15139, L16519
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar A15139, 42039
      H225-H311-H331-H314-H302 Alfa Aesar A15139, L16519
      P210-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar A15139, L16519
      Safety glasses, good ventilation. OU Chemical Safety Data (No longer updated) More details
    • Chemical Class:

      An <element>N</element>-silyl compound obtained from ammonia by replacement of two of the hydrogens with trimethylsilyl groups. Hexamethyldisilazane is a derivatisation agent used in gas chromatograp hy mass spectrometry applications. ChEBI CHEBI:85068
      An N-silyl compound obtained from ammonia by replacement of two of the hydrogens with trimethylsilyl groups. Hexamethyldisilazane is a derivatisation agent used in gas chromatograp; hy mass spectrome try applications. ChEBI
      An N-silyl compound obtained from ammonia by replacement of two of the hydrogens with trimethylsilyl groups. Hexamethyldisilazane is a derivatisation agent used in gas chromatography mass spectrometr y applications. ChEBI CHEBI:85068
  • Gas Chromatography
    • Retention Index (Kovats):

      636 (estimated with error: 89) NIST Spectra mainlib_231343, replib_63368, replib_54620
      686 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 3.7 m; Column type: Packed; Start T: 130 C; CAS no: 999973; Active phase: Apolane; Data type: Kovats RI; Authors: Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 555, 1991, 191-204.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      717 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 999973; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Encyclopedia of Chromatography. Derivatization of Hydroxy Compounds for GC Analysis, Marcel Dekker, Inc., New York - Basel, 2001, 237.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 126.0±9.0 °C at 760 mmHg
Vapour Pressure: 11.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.4±3.0 kJ/mol
Flash Point: 30.0±18.7 °C
Index of Refraction: 1.404
Molar Refractivity: 50.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.58
Polar Surface Area: 12 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 16.2±3.0 dyne/cm
Molar Volume: 207.9±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) =  2.62

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  107.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -58.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  12.5  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  125 deg C
    VP  (exp database):  1.38E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  392.3
       log Kow used: 2.62 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.8558 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.69E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.767E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.62  (KowWin est)
  Log Kaw used:  -2.449  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.069
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6707
   Biowin2 (Non-Linear Model)     :   0.6719
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8425  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6149  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2345
   Biowin6 (MITI Non-Linear Model):   0.1174
 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):  1.84E+003 Pa (13.8 mm Hg)
  Log Koa (Koawin est  ): 5.069
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.63E-009 
       Octanol/air (Koa) model:  2.88E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.89E-008 
       Mackay model           :  1.3E-007 
       Octanol/air (Koa) model:  2.3E-006 

 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): 9.47E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  393.3
      Log Koc:  2.595 

 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 = 1.315 (BCF = 20.67)
       log Kow used: 2.62 (estimated)

 Volatilization from Water:
    Henry LC:  8.69E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      9.856  hours
    Half-Life from Model Lake :        214  hours   (8.919 days)

 Removal In Wastewater Treatment:
    Total removal:               7.63  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.28  percent
    Total to Air:                4.24  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.62            286          1000       
   Water     23.2            360          1000       
   Soil      69              720          1000       
   Sediment  0.197           3.24e+003    0          
     Persistence Time: 437 hr


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