ChemSpider 2D Image | Diethoxydimethylsilane | C6H16O2Si

Diethoxydimethylsilane

  • Molecular FormulaC6H16O2Si
  • Average mass148.275 Da
  • Monoisotopic mass148.091949 Da
  • ChemSpider ID56117

More details:






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

Diethoxy(dimethyl)silan [German] [ACD/IUPAC Name]
Diethoxy(dimethyl)silane [ACD/IUPAC Name]
Diéthoxy(diméthyl)silane [French] [ACD/IUPAC Name]
Diethoxydimethylsilane
Dimethyl-diethoxysilan
Silane, diethoxydimethyl- [ACD/Index Name]
201-127-6 [EINECS]
202756-41-0 [RN]
4-04-00-04101 [Beilstein]
78-62-6 [RN]
More...

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

175595_ALDRICH [DBID]
40120_FLUKA [DBID]
BRN 1736110 [DBID]
CCRIS 1321 [DBID]
KBE 22 [DBID]
NSC 77085 [DBID]
NSC77085 [DBID]
UN2380 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      679 (estimated with error: 89) NIST Spectra mainlib_133647, replib_151701, replib_231340
      678 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 3 m; Column type: Packed; Start T: 160 C; CAS no: 78626; Active phase: Apiezon M; Substrate: Chromosorb G; Data type: Kovats RI; Authors: Peetre, I.-B.; Ellren, O.; Smith, B.E.F., Gas chromatographic investigation of organometallic compounds and their carbon analogues. VI. Determination, calculation and correlation of Kovats retention indices for alkylalkoxysilanes, J. Chromatogr., 318, 1985, 41-55.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      678 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 160 C; CAS no: 78626; Active phase: Apieson M; Substrate: Chromosorb G AW DMCS (80-100 mesh); Data type: Normal alkane RI; Authors: Ellren, O.; Peetre, I.B.; Smith, B.E.F., Gas chromatographic investigation of organometallic compounds and their carbon analogues. V. Use of refractive index in conjunction with Kovats retention index for the identification of organosilicon compounds, J. Chromatogr., 93, 1974, 383-392.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 114.0±0.0 °C at 760 mmHg
Vapour Pressure: 24.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.8±3.0 kJ/mol
Flash Point: 11.7±0.0 °C
Index of Refraction: 1.393
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.01
ACD/KOC (pH 5.5): 110.24
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.01
ACD/KOC (pH 7.4): 110.24
Polar Surface Area: 18 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 19.4±3.0 dyne/cm
Molar Volume: 176.0±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) =  1.57
    Log Kow (Exper. database match) =  0.61
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  121.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -53.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  20.4  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -87 deg C
    BP  (exp database):  114 deg C
    VP  (exp database):  2.00E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.326e+004
       log Kow used: 0.61 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.0772e+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 :   2.09E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.711E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.61  (exp database)
  Log Kaw used:  -1.068  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.678
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6770
   Biowin2 (Non-Linear Model)     :   0.7116
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8715  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6338  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3715
   Biowin6 (MITI Non-Linear Model):   0.3061
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5698
 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):  2.67E+003 Pa (20 mm Hg)
  Log Koa (Koawin est  ): 1.678
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.12E-009 
       Octanol/air (Koa) model:  1.17E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.06E-008 
       Mackay model           :  9E-008 
       Octanol/air (Koa) model:  9.36E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.6460 E-12 cm3/molecule-sec
      Half-Life =     0.846 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.150 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.53E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  653
      Log Koc:  2.815 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.61 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00209 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.584  hours
    Half-Life from Model Lake :      119.4  hours   (4.974 days)

 Removal In Wastewater Treatment:
    Total removal:              46.52  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.08  percent
    Total to Air:               45.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       18.4            20.3         1000       
   Water     68.1            360          1000       
   Soil      13.3            720          1000       
   Sediment  0.129           3.24e+003    0          
     Persistence Time: 97.6 hr




                    

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