ChemSpider 2D Image | (2E)-2-Buten-2-yl(trimethyl)silane | C7H16Si

(2E)-2-Buten-2-yl(trimethyl)silane

  • Molecular FormulaC7H16Si
  • Average mass128.287 Da
  • Monoisotopic mass128.102127 Da
  • ChemSpider ID4518258

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Buten-2-yl(trimethyl)silan [German] [ACD/IUPAC Name]
(2E)-2-Buten-2-yl(trimethyl)silane [ACD/IUPAC Name]
(2E)-2-Butén-2-yl(triméthyl)silane [French] [ACD/IUPAC Name]
Silane, trimethyl(1-methyl-1-propenyl)-, (E)-
Silane, trimethyl[(1E)-1-methyl-1-propen-1-yl]- [ACD/Index Name]
Trimethyl[(1E)-1-methyl-1-propenyl]silane
87842-32-8 [RN]
Poly(trimethylsilyl)propyne

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

Density: 0.7±0.1 g/cm3
Boiling Point: 109.6±9.0 °C at 760 mmHg
Vapour Pressure: 28.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.4±3.0 kJ/mol
Flash Point: 4.9±12.3 °C
Index of Refraction: 1.412
Molar Refractivity: 43.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 345.33
ACD/KOC (pH 5.5): 2282.84
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 345.33
ACD/KOC (pH 7.4): 2282.84
Polar Surface Area: 0 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 17.3±3.0 dyne/cm
Molar Volume: 173.2±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) =  4.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  96.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -86.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  43.6  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  33.57
       log Kow used: 4.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.3337 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.46E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.192E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.03  (KowWin est)
  Log Kaw used:  1.349  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.681
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6865
   Biowin2 (Non-Linear Model)     :   0.7662
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9157  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6626  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3387
   Biowin6 (MITI Non-Linear Model):   0.2588
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3647
 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):  5.55E+003 Pa (41.6 mm Hg)
  Log Koa (Koawin est  ): 2.681
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.41E-010 
       Octanol/air (Koa) model:  1.18E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.95E-008 
       Mackay model           :  4.33E-008 
       Octanol/air (Koa) model:  9.42E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  87.6208 E-12 cm3/molecule-sec
      Half-Life =     0.122 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.465 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi): 3.14E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  298.3
      Log Koc:  2.475 

 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 = 2.405 (BCF = 254.4)
       log Kow used: 4.03 (estimated)

 Volatilization from Water:
    Henry LC:  0.546 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.157  hours
    Half-Life from Model Lake :      107.6  hours   (4.483 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.59  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:    18.07  percent
    Total to Air:               81.46  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.13            1.64         1000       
   Water     70.3            360          1000       
   Soil      18.1            720          1000       
   Sediment  9.55            3.24e+003    0          
     Persistence Time: 87.2 hr

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