Found 16 results

Search term: MF = 'C_{10}H_{26}O_{2}Si_{2}'
ChemSpider 2D Image | 2,2,9,9-Tetramethyl-3,8-dioxa-2,9-disiladecane | C10H26O2Si2

2,2,9,9-Tetramethyl-3,8-dioxa-2,9-disiladecane

  • Molecular FormulaC10H26O2Si2
  • Average mass234.483 Da
  • Monoisotopic mass234.147125 Da
  • ChemSpider ID123750

More details:

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

2,2,9,9-Tetramethyl-3,8-dioxa-2,9-disiladecan [German] [ACD/IUPAC Name]
2,2,9,9-Tetramethyl-3,8-dioxa-2,9-disiladecane [ACD/IUPAC Name]
2,2,9,9-Tétraméthyl-3,8-dioxa-2,9-disiladécane [French] [ACD/IUPAC Name]
3,8-Dioxa-2,9-disiladecane, 2,2,9,9-tetramethyl- [ACD/Index Name]
1,4-bis(trimethylsiloxy)-butane
1,4-BIS(TRIMETHYLSILOXY)BUTANE
1,4-Butanediol bis(trimethylsilyl) ether
1,4-Butanediol bis(trimethylsilyl)ether
1,4-Butanediol, bis-TMS
18001-91-7 [RN]
More...

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

  • Gas Chromatography

    • Retention Index (Kovats):

      987 (estimated with error: 89) NIST Spectra mainlib_63317, replib_99921, replib_50400

    • Retention Index (Normal Alkane):

      1168 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.24 mm; Column length: 50 m; Column type: Capillary; CAS no: 18001917; Active phase: OV-101; Carrier gas: He; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Malamakhov, A.C., Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, , 1987, 101-106, In original 101-106.) NIST Spectra nist ri

    • Retention Index (Linear):

      1180 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 18001917; 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

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

Density: 0.8±0.1 g/cm3
Boiling Point: 216.6±23.0 °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: 71.9±23.0 °C
Index of Refraction: 1.413
Molar Refractivity: 69.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 394.03
ACD/KOC (pH 5.5): 2508.91
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 394.03
ACD/KOC (pH 7.4): 2508.91
Polar Surface Area: 18 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 20.0±3.0 dyne/cm
Molar Volume: 277.8±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) =  4.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  199.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.37  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.839
       log Kow used: 4.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12383 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.32E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.955E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.32  (KowWin est)
  Log Kaw used:  -0.468  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.788
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6359
   Biowin2 (Non-Linear Model)     :   0.4204
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6810  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5094  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2147
   Biowin6 (MITI Non-Linear Model):   0.0825
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4626
 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):  45.1 Pa (0.338 mm Hg)
  Log Koa (Koawin est  ): 4.788
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.66E-008 
       Octanol/air (Koa) model:  1.51E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.4E-006 
       Mackay model           :  5.33E-006 
       Octanol/air (Koa) model:  1.21E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.9549 E-12 cm3/molecule-sec
      Half-Life =     0.466 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.591 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.86E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8393
      Log Koc:  3.924 

 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 = 2.629 (BCF = 426.1)
       log Kow used: 4.32 (estimated)

 Volatilization from Water:
    Henry LC:  0.00832 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.67  hours
    Half-Life from Model Lake :      146.6  hours   (6.109 days)

 Removal In Wastewater Treatment:
    Total removal:              83.30  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    32.98  percent
    Total to Air:               50.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.18            11.2         1000       
   Water     10.8            900          1000       
   Soil      82.6            1.8e+003     1000       
   Sediment  5.37            8.1e+003     0          
     Persistence Time: 732 hr

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