ChemSpider 2D Image | 1,1,1,2-Tetramethyl-2,2-divinyldisilane | C8H18Si2

1,1,1,2-Tetramethyl-2,2-divinyldisilane

  • Molecular FormulaC8H18Si2
  • Average mass170.400 Da
  • Monoisotopic mass170.094696 Da
  • ChemSpider ID11269510

More details:

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

1,1,1,2-Tetramethyl-2,2-divinyldisilan [German] [ACD/IUPAC Name]
1,1,1,2-Tetramethyl-2,2-divinyldisilane [ACD/IUPAC Name]
1,1,1,2-Tétraméthyl-2,2-divinyldisilane [French] [ACD/IUPAC Name]
Disilane, 1,1-diethenyl-1,2,2,2-tetramethyl- [ACD/Index Name]
1450-29-9 [RN]
DIVINYLTETRAMETHYLDISILANE

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

Density: 0.8±0.1 g/cm3
Boiling Point: 147.6±13.0 °C at 760 mmHg
Vapour Pressure: 5.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.9±3.0 kJ/mol
Flash Point: 26.0±12.9 °C
Index of Refraction: 1.418
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1351.20
ACD/KOC (pH 5.5): 6061.33
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1351.20
ACD/KOC (pH 7.4): 6061.33
Polar Surface Area: 0 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 16.3±3.0 dyne/cm
Molar Volume: 222.3±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) =  4.82

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  107.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -75.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  27.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.657
       log Kow used: 4.82 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0054784 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]:  1.324E+000 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)         :   0.6664
   Biowin2 (Non-Linear Model)     :   0.6431
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8226  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6019  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2440
   Biowin6 (MITI Non-Linear Model):   0.1048
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0767
 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):  3.45E+003 Pa (25.9 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.69E-010 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.14E-008 
       Mackay model           :  6.95E-008 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  53.1984 E-12 cm3/molecule-sec
      Half-Life =     0.201 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.413 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec
      Half-Life =     3.274 Days (at 7E11 mol/cm3)
      Half-Life =     78.583 Hrs
   Fraction sorbed to airborne particulates (phi): 5.04E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  886.8
      Log Koc:  2.948 

 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 = 3.014 (BCF = 1032)
       log Kow used: 4.82 (estimated)

 Volatilization from Water:
    Henry LC:  1.32 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.333  hours
    Half-Life from Model Lake :        124  hours   (5.166 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.86  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:    43.51  percent
    Total to Air:               56.22  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.21            4.55         1000       
   Water     40.7            360          1000       
   Soil      24.6            720          1000       
   Sediment  31.5            3.24e+003    0          
     Persistence Time: 149 hr

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