ChemSpider 2D Image | Tris(trimethylsilyl)hydroxylamine | C9H27NOSi3

Tris(trimethylsilyl)hydroxylamine

  • Molecular FormulaC9H27NOSi3
  • Average mass249.573 Da
  • Monoisotopic mass249.140045 Da
  • ChemSpider ID453442

More details:

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

1,1,1-Trimethyl-N-(trimethylsilyl)-N-[(trimethylsilyl)oxy]silanamin [German] [ACD/IUPAC Name]
1,1,1-Trimethyl-N-(trimethylsilyl)-N-[(trimethylsilyl)oxy]silanamine [ACD/IUPAC Name]
1,1,1-Triméthyl-N-(triméthylsilyl)-N-[(triméthylsilyl)oxy]silanamine [French] [ACD/IUPAC Name]
Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-N-[(trimethylsilyl)oxy]- [ACD/Index Name]
Tris(trimethylsilyl)hydroxylamine
[21023-20-1] [RN]
[dimethyl-[trimethylsilyl(trimethylsilyloxy)amino]silyl]methane
2,2,5,5-Tetramethyl-4-(trimethylsilyl)-3-oxa-4-aza-2,5-disilahexane
21023-20-1 [RN]
Hydroxylamine, N,N,O-tris-TMS
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Kovats):

      771 (estimated with error: 89) NIST Spectra mainlib_366588, replib_79547, replib_155459, replib_334842

    • Retention Index (Normal Alkane):

      1125 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 70 C; End T: 280 C; End time: 3 min; Start time: 3 min; CAS no: 21023201; Active phase: HP-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lee, B.Y.; Yanamandra, K.; Thurmon, T.F., Quantitative estimation of organic analytes with a capillary column, Am. Clin. Lab., , 2002, 30-34.) NIST Spectra nist ri

    • Retention Index (Linear):

      1123 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 21023201; Active phase: Methyl Silicone; Data type: Linear RI; Authors: Peng, C.T.; Yang, Z.C.; Maltby, D., Prediction of retention indexes. III. Silylated derivatives of polar compounds, J. Chromatogr., 586, 1991, 113-129.) NIST Spectra nist ri
      1111 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column length: 2 m; Column type: Packed; Heat rate: 4 K/min; Start T: 80 C; End T: 240 C; CAS no: 21023201; Active phase: OV-1; Carrier gas: N2; Substrate: Supelcoport; Data type: Linear RI; Authors: Mattsson, M.; Petersson, G., Reference GLC Data for the Analysis of Phenolic Compounds as Trimethylsilyl Derivatives, J. Chromatogr. Sci., 15, 1977, 546-554.) 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: 207.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 79.2±22.6 °C
Index of Refraction: 1.420
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 113.72
ACD/KOC (pH 5.5): 343.03
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3381.59
ACD/KOC (pH 7.4): 10200.33
Polar Surface Area: 12 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 17.9±3.0 dyne/cm
Molar Volume: 297.9±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) =  4.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  162.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -36.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.22  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.755
       log Kow used: 4.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.66986 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.05E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.154E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.84  (KowWin est)
  Log Kaw used:  -1.367  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.207
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6287
   Biowin2 (Non-Linear Model)     :   0.3693
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6476  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4877  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0267
   Biowin6 (MITI Non-Linear Model):   0.0109
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1199
 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):  269 Pa (2.02 mm Hg)
  Log Koa (Koawin est  ): 6.207
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.11E-008 
       Octanol/air (Koa) model:  3.95E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.02E-007 
       Mackay model           :  8.91E-007 
       Octanol/air (Koa) model:  3.16E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.3464 E-12 cm3/molecule-sec
      Half-Life =     7.944 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    95.330 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.47E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5349
      Log Koc:  3.728 

 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 = 3.026 (BCF = 1061)
       log Kow used: 4.84 (estimated)

 Volatilization from Water:
    Henry LC:  0.00105 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.493  hours
    Half-Life from Model Lake :      159.7  hours   (6.653 days)

 Removal In Wastewater Treatment:
    Total removal:              76.24  percent
    Total biodegradation:        0.56  percent
    Total sludge adsorption:    67.10  percent
    Total to Air:                8.58  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.3             191          1000       
   Water     7.79            900          1000       
   Soil      76.4            1.8e+003     1000       
   Sediment  12.5            8.1e+003     0          
     Persistence Time: 1.12e+003 hr

Click to predict properties on the Chemicalize site


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