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Search term: 7381-30-8 (Found by approved synonym)
ChemSpider 2D Image | 1,2-Bis(trimethylsiloxy)ethane | C8H22O2Si2

1,2-Bis(trimethylsiloxy)ethane

  • Molecular FormulaC8H22O2Si2
  • Average mass206.430 Da
  • Monoisotopic mass206.115829 Da
  • ChemSpider ID73867

More details:

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

1,2-Bis(trimethylsiloxy)ethane
2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctan [German] [ACD/IUPAC Name]
2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctane [ACD/IUPAC Name]
2,2,7,7-Tétraméthyl-3,6-dioxa-2,7-disilaoctane [French] [ACD/IUPAC Name]
230-950-3 [EINECS]
3,6-Dioxa-2,7-disilaoctane, 2,2,7,7-tetramethyl- [ACD/Index Name]
7381-30-8 [RN]
Ethylene glycol bis(trimethylsilyl ether)
MFCD00009640 [MDL number]
[7381-30-8] [RN]
More...

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

15232_FLUKA [DBID]
225800_ALDRICH [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      788 (estimated with error: 89) NIST Spectra mainlib_79647, replib_63315, replib_281441, replib_43215

    • Retention Index (Normal Alkane):

      990 (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: 3 K/min; Start T: 50 C; End T: 300 C; End time: 30 min; CAS no: 7381308; Active phase: HP-5; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Isidorov, V.A.; Lech, P.; Zolciak, A.; Rusak, N.; Szczepaniak, L., Gas Chromatographic - nass spectrometric investigation of metabolites from the needles and roots of pine seedlings at early stages of pathogenic fungi Armillaria ostoyae attack, Trees, 22, 2008, 531-542.) NIST Spectra nist ri
      989 (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: 5 K/min; Start T: 50 C; End T: 300 C; CAS no: 7381308; Active phase: HP-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Isidorov, V.A.; Kotowska, U.; Vinogorova, V.T., GC Identification of organic compounds based on partition coefficients of their TMS derivatives in a hexane-acetonitrile system and retention indices, Anal. Sci., 21(12), 2005, 1483-1489.) NIST Spectra nist ri

    • Retention Index (Linear):

      993 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 7381308; 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
      992 (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: 5 K/min; Start T: 50 C; End T: 250 C; CAS no: 7381308; Active phase: PE-5; Carrier gas: He; Data type: Linear RI; Authors: Isidorov, V.A.; Vinogorova, V.T., GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra, Z. Naturforsch. C:, 58, 2003, 355-360.) 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: 165.5±0.0 °C at 760 mmHg
Vapour Pressure: 2.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 36.6±20.2 °C
Index of Refraction: 1.405
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 121.06
ACD/KOC (pH 5.5): 1078.02
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 121.06
ACD/KOC (pH 7.4): 1078.02
Polar Surface Area: 18 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 18.6±3.0 dyne/cm
Molar Volume: 244.8±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) =  3.34

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  157.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -36.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.78  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  56.76
       log Kow used: 3.34 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.2928e+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 :   4.72E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.330E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.34  (KowWin est)
  Log Kaw used:  -0.715  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.055
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6493
   Biowin2 (Non-Linear Model)     :   0.5193
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7430  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5499  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1993
   Biowin6 (MITI Non-Linear Model):   0.0788
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4106
 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):  337 Pa (2.53 mm Hg)
  Log Koa (Koawin est  ): 4.055
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.89E-009 
       Octanol/air (Koa) model:  2.79E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.21E-007 
       Mackay model           :  7.11E-007 
       Octanol/air (Koa) model:  2.23E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.9132 E-12 cm3/molecule-sec
      Half-Life =     0.717 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.607 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.16E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2467
      Log Koc:  3.392 

 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 = 1.873 (BCF = 74.68)
       log Kow used: 3.34 (estimated)

 Volatilization from Water:
    Henry LC:  0.00472 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.644  hours
    Half-Life from Model Lake :      138.4  hours   (5.767 days)

 Removal In Wastewater Treatment:
    Total removal:              67.11  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     6.70  percent
    Total to Air:               60.34  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.16            17.2         1000       
   Water     22.5            900          1000       
   Soil      72.2            1.8e+003     1000       
   Sediment  1.12            8.1e+003     0          
     Persistence Time: 361 hr

Click to predict properties on the Chemicalize site


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