ChemSpider 2D Image | trimethyl(1-propenyl)silane | C6H14Si

trimethyl(1-propenyl)silane

  • Molecular FormulaC6H14Si
  • Average mass114.261 Da
  • Monoisotopic mass114.086479 Da
  • ChemSpider ID9643889

  • Double-bond stereo - Double-bond stereo

More details:

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

Silane, trimethyl-(1Z)-1-propen-1-yl- [ACD/Index Name]
silane, trimethyl-1-propenyl-
Silane, trimethyl-1-propenyl-, (Z)-
trimethyl(1-propenyl)silane
Trimethyl(prop-1-en-1-yl)silane
Trimethyl[(1Z)-1-propen-1-yl]silan [German] [ACD/IUPAC Name]
Trimethyl[(1Z)-1-propen-1-yl]silane [ACD/IUPAC Name]
Triméthyl[(1Z)-1-propén-1-yl]silane [French] [ACD/IUPAC Name]
(Z)-1-TRIMETHYSILYLPROPENE
cis-propen-1-yltrimethylsilane

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

Density: 0.7±0.1 g/cm3
Boiling Point: 91.6±8.0 °C at 760 mmHg
Vapour Pressure: 60.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 31.8±3.0 kJ/mol
Flash Point: -6.1±12.0 °C
Index of Refraction: 1.407
Molar Refractivity: 38.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.03
ACD/KOC (pH 5.5): 1488.64
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.03
ACD/KOC (pH 7.4): 1488.64
Polar Surface Area: 0 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 16.7±3.0 dyne/cm
Molar Volume: 156.9±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) =  3.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  78.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -90.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  92.2  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  111
       log Kow used: 3.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.088 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.48E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.249E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.49  (KowWin est)
  Log Kaw used:  1.153  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.337
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6931
   Biowin2 (Non-Linear Model)     :   0.8000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9467  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6829  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3862
   Biowin6 (MITI Non-Linear Model):   0.3456
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3707
 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):  1.19E+004 Pa (89.4 mm Hg)
  Log Koa (Koawin est  ): 2.337
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.52E-010 
       Octanol/air (Koa) model:  5.33E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.09E-009 
       Mackay model           :  2.01E-008 
       Octanol/air (Koa) model:  4.27E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  56.9848 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  64.5848 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.252 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.987 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 1.46E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  178.2
      Log Koc:  2.251 

 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 = 1.984 (BCF = 96.4)
       log Kow used: 3.49 (estimated)

 Volatilization from Water:
    Henry LC:  0.348 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.093  hours
    Half-Life from Model Lake :      101.5  hours   (4.231 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.30  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     6.79  percent
    Total to Air:               92.47  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.97            4.12         1000       
   Water     80.4            360          1000       
   Soil      10.1            720          1000       
   Sediment  3.5             3.24e+003    0          
     Persistence Time: 76.4 hr

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