ChemSpider 2D Image | 2,2,10,10-Tetramethyl-3,6,9-trioxa-2,10-disilaundecane | C10H26O3Si2

2,2,10,10-Tetramethyl-3,6,9-trioxa-2,10-disilaundecane

  • Molecular FormulaC10H26O3Si2
  • Average mass250.483 Da
  • Monoisotopic mass250.142044 Da
  • ChemSpider ID480871

More details:






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

2,2,10,10-Tetramethyl-3,6,9-trioxa-2,10-disilaundecan [German] [ACD/IUPAC Name]
2,2,10,10-Tetramethyl-3,6,9-trioxa-2,10-disilaundecane [ACD/IUPAC Name]
2,2,10,10-Tétraméthyl-3,6,9-trioxa-2,10-disilaundécane [French] [ACD/IUPAC Name]
3,6,9-Trioxa-2,10-disilaundecane, 2,2,10,10-tetramethyl- [ACD/Index Name]
[16654-74-3]
16654-74-3 [RN]
BIS(2-(TRIMETHYLSILYLOXY)ETHYL) ETHER
BIS[2-(TRIMETHYLSILOXY)ETHYL] ETHER
Bis[2-(trimethylsilyloxy)ethyl] Ether
bis[2-(trimethylsilyloxy)ethyl]ether
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  • Experimental Physico-chemical Properties
  • Gas Chromatography
    • Retention Index (Kovats):

      1063 (estimated with error: 89) NIST Spectra mainlib_352062, replib_61323, replib_79646, replib_156038
    • Retention Index (Linear):

      1227.1 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 16654743; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2008.) NIST Spectra nist ri
      1238.7 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; CAS no: 16654743; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Zheng, Y.; White, E., Retention Data. NIST Mass Spectrometry Data Center., 2008.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 215.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.4±3.0 kJ/mol
Flash Point: 72.4±20.8 °C
Index of Refraction: 1.414
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.55
ACD/KOC (pH 5.5): 1229.95
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.55
ACD/KOC (pH 7.4): 1229.95
Polar Surface Area: 28 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 20.9±3.0 dyne/cm
Molar Volume: 284.2±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) =  3.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  219.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  4.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.133  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  56.45
       log Kow used: 3.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.4894e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.34E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.765E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.07  (KowWin est)
  Log Kaw used:  -2.523  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.593
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2809
   Biowin2 (Non-Linear Model)     :   0.0184
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6370  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4766  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1685
   Biowin6 (MITI Non-Linear Model):   0.0484
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2054
 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):  16.5 Pa (0.124 mm Hg)
  Log Koa (Koawin est  ): 5.593
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.81E-007 
       Octanol/air (Koa) model:  9.62E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.55E-006 
       Mackay model           :  1.45E-005 
       Octanol/air (Koa) model:  7.69E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.9288 E-12 cm3/molecule-sec
      Half-Life =     0.370 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.437 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.05E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  842.3
      Log Koc:  2.925 

 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 = 1.662 (BCF = 45.91)
       log Kow used: 3.07 (estimated)

 Volatilization from Water:
    Henry LC:  7.34E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      14.24  hours
    Half-Life from Model Lake :        288  hours   (12 days)

 Removal In Wastewater Treatment:
    Total removal:               9.73  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.07  percent
    Total to Air:                3.53  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.54            8.87         1000       
   Water     16.2            900          1000       
   Soil      82.8            1.8e+003     1000       
   Sediment  0.431           8.1e+003     0          
     Persistence Time: 924 hr




                    

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