ChemSpider 2D Image | Tris[2-(trimethylsiloxy)ethyl]amine | C15H39NO3Si3

Tris[2-(trimethylsiloxy)ethyl]amine

  • Molecular FormulaC15H39NO3Si3
  • Average mass365.732 Da
  • Monoisotopic mass365.223785 Da
  • ChemSpider ID109991

More details:

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

2-[(Trimethylsilyl)oxy]-N,N-bis{2-[(trimethylsilyl)oxy]ethyl}ethanamin [German] [ACD/IUPAC Name]
2-[(Trimethylsilyl)oxy]-N,N-bis{2-[(trimethylsilyl)oxy]ethyl}ethanamine [ACD/IUPAC Name]
2-[(Triméthylsilyl)oxy]-N,N-bis{2-[(triméthylsilyl)oxy]éthyl}éthanamine [French] [ACD/IUPAC Name]
20836-42-4 [RN]
Ethanamine, 2-[(trimethylsilyl)oxy]-N,N-bis[2-[(trimethylsilyl)oxy]ethyl]- [ACD/Index Name]
Tris[2-(trimethylsiloxy)ethyl]amine
2-((Trimethylsilyl)oxy)-N,N-bis(2-((trimethylsilyl)oxy)ethyl)ethanamine
2,2,10,10-Tetramethyl-6-(2-(trimethylsiloxy)ethyl)-3,9-dioxa-6-aza-2,10-disilaundecane
2,2',2''-tris(trimethylsiloxy)triethylamine
Amine, N,N,N-tris((trimethylsilyloxy)ethyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Gas Chromatography

    • Retention Index (Kovats):

      1519 (estimated with error: 89) NIST Spectra mainlib_273236, replib_150525, replib_226861, replib_289596

    • Retention Index (Normal Alkane):

      1646 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 20836424; Active phase: 5 % Phenyl methyl siloxane; Data type: Normal alkane RI; Authors: OPCW, Conference of the States Parties C-I/DEC.64 (22 May 1997), 1997.) NIST Spectra nist ri

    • Retention Index (Linear):

      1645 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 280 C; End time: 10 min; Start time: 1 min; CAS no: 20836424; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Kostiainen, O., Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention, in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s), John Wiley & Sons Ltd, Chichester, 2000, 963-979.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 313.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 143.4±22.3 °C
Index of Refraction: 1.434
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 8.94
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 36.76
ACD/KOC (pH 7.4): 140.21
Polar Surface Area: 31 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 22.4±3.0 dyne/cm
Molar Volume: 409.7±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) =  4.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  307.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  61.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000606  (Modified Grain method)
    Subcooled liquid VP: 0.00134 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):  6.731
       log Kow used: 4.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.0686e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines
       Silanes (alkoxy)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.07E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.333E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.54  (KowWin est)
  Log Kaw used:  -4.431  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.971
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3682
   Biowin2 (Non-Linear Model)     :   0.0120
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1361  (months      )
   Biowin4 (Primary Survey Model) :   3.0321  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1606
   Biowin6 (MITI Non-Linear Model):   0.0022
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7990
 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):  0.179 Pa (0.00134 mm Hg)
  Log Koa (Koawin est  ): 8.971
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.68E-005 
       Octanol/air (Koa) model:  0.00023 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000606 
       Mackay model           :  0.00134 
       Octanol/air (Koa) model:  0.018 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 179.5749 E-12 cm3/molecule-sec
      Half-Life =     0.060 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.715 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000974 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.844E+005
      Log Koc:  5.454 

 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 = 2.795 (BCF = 624)
       log Kow used: 4.54 (estimated)

 Volatilization from Water:
    Henry LC:  9.07E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1236  hours   (51.52 days)
    Half-Life from Model Lake : 1.365E+004  hours   (568.7 days)

 Removal In Wastewater Treatment:
    Total removal:              58.13  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    57.57  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0367          1.43         1000       
   Water     11.6            1.44e+003    1000       
   Soil      75.7            2.88e+003    1000       
   Sediment  12.6            1.3e+004     0          
     Persistence Time: 1.83e+003 hr

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