ChemSpider 2D Image | Bis(trimethylsilyl)acetylene | C8H18Si2

Bis(trimethylsilyl)acetylene

  • Molecular FormulaC8H18Si2
  • Average mass170.400 Da
  • Monoisotopic mass170.094696 Da
  • ChemSpider ID76286

More details:






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

1,2-Bis-trimethylsilanyl-ethyne
1,2-Ethindiylbis(trimethylsilan) [German] [ACD/IUPAC Name]
1,2-Ethynediylbis(trimethylsilane) [ACD/IUPAC Name]
1,2-Éthynediylbis(triméthylsilane) [French] [ACD/IUPAC Name]
14630-40-1 [RN]
2,5-Disilahex-3-yne, 2,2,5,5-tetramethyl-
238-671-9 [EINECS]
Bis(trimethylsilyl)acetylene [Wiki]
BTMSA
ethyne-1,2-diylbis(trimethylsilane)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

187437_ALDRICH [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 134.6±8.0 °C at 760 mmHg
Vapour Pressure: 9.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.7±3.0 kJ/mol
Flash Point: 17.1±11.5 °C
Index of Refraction: 1.420
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4240.36
ACD/KOC (pH 5.5): 13743.21
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4240.36
ACD/KOC (pH 7.4): 13743.21
Polar Surface Area: 0 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 18.5±3.0 dyne/cm
Molar Volume: 215.4±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) =  4.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  127.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -14.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.56  (Modified Grain method)
    MP  (exp database):  26 deg C
    BP  (exp database):  134 deg C
    Subcooled liquid VP: 7.71 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  11.12
       log Kow used: 4.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.01649 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.65E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.524E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.38  (KowWin est)
  Log Kaw used:  0.434  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.946
      Log Koa (experimental database):  None

 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)    :   0.2077
   Biowin6 (MITI Non-Linear Model):   0.0930
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3587
 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):  1.03E+003 Pa (7.71 mm Hg)
  Log Koa (Koawin est  ): 3.946
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.92E-009 
       Octanol/air (Koa) model:  2.17E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.05E-007 
       Mackay model           :  2.33E-007 
       Octanol/air (Koa) model:  1.73E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.8976 E-12 cm3/molecule-sec
      Half-Life =     0.383 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.601 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 1.69E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  725.3
      Log Koc:  2.861 

 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 = 2.673 (BCF = 470.9)
       log Kow used: 4.38 (estimated)

 Volatilization from Water:
    Henry LC:  0.0665 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.344  hours
    Half-Life from Model Lake :      124.1  hours   (5.171 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.16  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:    30.39  percent
    Total to Air:               66.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.17            9.19         1000       
   Water     25              360          1000       
   Soil      64.5            720          1000       
   Sediment  7.33            3.24e+003    0          
     Persistence Time: 245 hr




                    

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