ChemSpider 2D Image | Ethynyl(triisopropyl)silane | C11H22Si

Ethynyl(triisopropyl)silane

  • Molecular FormulaC11H22Si
  • Average mass182.378 Da
  • Monoisotopic mass182.149078 Da
  • ChemSpider ID2016426

More details:

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

1Y1&-SI-1UU1&Y1&1&Y1&1 [WLN]
629-580-9 [EINECS]
89343-06-6 [RN]
Ethinyl(triisopropyl)silan [German] [ACD/IUPAC Name]
Ethynyl(triisopropyl)silane [ACD/IUPAC Name]
Éthynyl(triisopropyl)silane [French] [ACD/IUPAC Name]
Ethynyltriisopropylsilane
Ethynyltris(1-methylethyl)silane
Silane, ethynyltris(1-methylethyl)- [ACD/Index Name]
Triisopropylsilylacetylene
More...

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

3536241 [Beilstein] [DBID]
360031_ALDRICH [DBID]
92097_FLUKA [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 230.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±3.0 kJ/mol
Flash Point: 56.1±0.0 °C
Index of Refraction: 1.429
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1581.20
ACD/KOC (pH 5.5): 6783.17
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1581.20
ACD/KOC (pH 7.4): 6783.17
Polar Surface Area: 0 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 22.1±3.0 dyne/cm
Molar Volume: 230.7±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) =  5.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  154.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -36.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.085
       log Kow used: 5.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.11121 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.19E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.798E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.16  (KowWin est)
  Log Kaw used:  0.952  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.208
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6607
   Biowin2 (Non-Linear Model)     :   0.6032
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7961  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5846  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0200
   Biowin6 (MITI Non-Linear Model):   0.0511
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1389
 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):  401 Pa (3.01 mm Hg)
  Log Koa (Koawin est  ): 4.208
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.48E-009 
       Octanol/air (Koa) model:  3.96E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.7E-007 
       Mackay model           :  5.98E-007 
       Octanol/air (Koa) model:  3.17E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.4057 E-12 cm3/molecule-sec
      Half-Life =     0.742 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.910 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): 4.34E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3089
      Log Koc:  3.490 

 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 = 3.276 (BCF = 1890)
       log Kow used: 5.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.219 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.382  hours
    Half-Life from Model Lake :      128.3  hours   (5.346 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.19  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    52.40  percent
    Total to Air:               46.61  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.25            17.8         1000       
   Water     15.8            360          1000       
   Soil      55.6            720          1000       
   Sediment  25.4            3.24e+003    0          
     Persistence Time: 378 hr

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