ChemSpider 2D Image | [(2E)-2,3-Dimethyl-2-butene-1,4-diyl]bis(trimethylsilane) | C12H28Si2

[(2E)-2,3-Dimethyl-2-butene-1,4-diyl]bis(trimethylsilane)

  • Molecular FormulaC12H28Si2
  • Average mass228.522 Da
  • Monoisotopic mass228.172958 Da
  • ChemSpider ID2300383

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2E)-2,3-Dimethyl-2-buten-1,4-diyl]bis(trimethylsilan) [German] [ACD/IUPAC Name]
[(2E)-2,3-Dimethyl-2-butene-1,4-diyl]bis(trimethylsilane) [ACD/IUPAC Name]
[(2E)-2,3-Diméthyl-2-butène-1,4-diyl]bis(triméthylsilane) [French] [ACD/IUPAC Name]
Silane, 1,1'-[(2E)-2,3-dimethyl-2-butene-1,4-diyl]bis[1,1,1-trimethyl- [ACD/Index Name]
16109-37-8 [RN]
SILANE, [(2E)-2,3-DIMETHYL-4-(TRIMETHYLSILYL)-2-BUTENYL]TRIMETHYL-
Silane,(2,3-dimethyl-2-butene-1,4-diyl)bis[trimethyl-, (Z)- (9CI)

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

Density: 0.8±0.1 g/cm3
Boiling Point: 223.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 68.2±14.8 °C
Index of Refraction: 1.427
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 55951.94
ACD/KOC (pH 5.5): 87109.95
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 55951.94
ACD/KOC (pH 7.4): 87109.95
Polar Surface Area: 0 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 18.9±3.0 dyne/cm
Molar Volume: 291.3±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) =  6.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  193.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -42.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.506  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.03544
       log Kow used: 6.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00029157 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.35E+000  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.293E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.96  (KowWin est)
  Log Kaw used:  2.137  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.823
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6387
   Biowin2 (Non-Linear Model)     :   0.4412
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6942  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5180  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1344
   Biowin6 (MITI Non-Linear Model):   0.0449
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2515
 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):  61.6 Pa (0.462 mm Hg)
  Log Koa (Koawin est  ): 4.823
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.87E-008 
       Octanol/air (Koa) model:  1.63E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.76E-006 
       Mackay model           :  3.9E-006 
       Octanol/air (Koa) model:  1.31E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 113.2244 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.134 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   120.000000 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     13.752 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 2.83E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6607
      Log Koc:  3.820 

 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 = 4.657 (BCF = 4.543e+004)
       log Kow used: 6.96 (estimated)

 Volatilization from Water:
    Henry LC:  3.35 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.543  hours
    Half-Life from Model Lake :      143.6  hours   (5.983 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.21  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    64.01  percent
    Total to Air:               34.94  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00515         0.208        1000       
   Water     2.34            900          1000       
   Soil      23.8            1.8e+003     1000       
   Sediment  73.9            8.1e+003     0          
     Persistence Time: 2.61e+003 hr

Click to predict properties on the Chemicalize site


Advertisement