ChemSpider 2D Image | Diethoxydimethylsilane | C6H16O2Si


  • 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

201-127-6 [EINECS]
78-62-6 [RN]
Diethoxy(dimethyl)silan [German] [ACD/IUPAC Name]
Diethoxy(dimethyl)silane [ACD/IUPAC Name]
Diéthoxy(diméthyl)silane [French] [ACD/IUPAC Name]
MFCD00009068 [MDL number]
Silane, diethoxydimethyl- [ACD/Index Name]
2O-SI-1&1&O2 [WLN]

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

40120_FLUKA [DBID]
BRN 1736110 [DBID]
CD5600 [DBID]
NSC 77085 [DBID]
NSC77085 [DBID]
UN2380 [DBID]

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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