ChemSpider 2D Image | 1,1-Diethyl-2,2-dimethyldisilane | C6H18Si2

1,1-Diethyl-2,2-dimethyldisilane

  • Molecular FormulaC6H18Si2
  • Average mass146.378 Da
  • Monoisotopic mass146.094696 Da
  • ChemSpider ID14003895

More details:

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

1,1-Diethyl-2,2-dimethyldisilan [German] [ACD/IUPAC Name]
1,1-Diéthyl-2,2-diméthyldisilane [French] [ACD/IUPAC Name]
Disilane, 1,1-diethyl-2,2-dimethyl- [ACD/Index Name]
1,1-DIETHYL-2,2-DIMETHYLDISILANE [ACD/IUPAC Name]

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

Density:
Boiling Point: 129.4±9.0 °C at 760 mmHg
Vapour Pressure: 12.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.2±3.0 kJ/mol
Flash Point: 22.4±12.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1720.92
ACD/KOC (pH 5.5): 7207.00
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1720.92
ACD/KOC (pH 7.4): 7207.00
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  121.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -103.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  14.8  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  30.12
       log Kow used: 4.00 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.019301 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.464E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6779
   Biowin2 (Non-Linear Model)     :   0.7171
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8757  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6365  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3771
   Biowin6 (MITI Non-Linear Model):   0.3179
 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):  1.84E+003 Pa (13.8 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.63E-009 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.89E-008 
       Mackay model           :  1.3E-007 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.6886 E-12 cm3/molecule-sec
      Half-Life =     3.978 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    47.740 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.47E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  398.9
      Log Koc:  2.601 

 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 = 2.381 (BCF = 240.4)
       log Kow used: 4.00 (estimated)

 Volatilization from Water:
    Henry LC:  0.0946 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.242  hours
    Half-Life from Model Lake :        115  hours   (4.792 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.70  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:    17.55  percent
    Total to Air:               80.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       24              95.5         1000       
   Water     33.8            360          1000       
   Soil      37.9            720          1000       
   Sediment  4.3             3.24e+003    0          
     Persistence Time: 182 hr

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