ChemSpider 2D Image | 3-Buten-2-yl(trimethyl)silane | C7H16Si

3-Buten-2-yl(trimethyl)silane

  • Molecular FormulaC7H16Si
  • Average mass128.287 Da
  • Monoisotopic mass128.102127 Da
  • ChemSpider ID9041636

More details:

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

3-Buten-2-yl(trimethyl)silan [German] [ACD/IUPAC Name]
3-Buten-2-yl(trimethyl)silane [ACD/IUPAC Name]
3-Butén-2-yl(triméthyl)silane [French] [ACD/IUPAC Name]
But-3-en-2-yl(trimethyl)silane
Silane, trimethyl(1-methyl-2-propen-1-yl)- [ACD/Index Name]
silane, trimethyl(1-methyl-2-propenyl)-
trimethyl(1-methylprop-2-en-1-yl)silane
(BUT-3-EN-2-YL)TRIMETHYLSILANE
3-Butenyltrimethylsilane
763-13-3 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.7±0.1 g/cm3
Boiling Point: 106.4±9.0 °C at 760 mmHg
Vapour Pressure: 33.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.1±3.0 kJ/mol
Flash Point: 8.5±17.5 °C
Index of Refraction: 1.404
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 485.56
ACD/KOC (pH 5.5): 2913.53
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.56
ACD/KOC (pH 7.4): 2913.53
Polar Surface Area: 0 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 17.1±3.0 dyne/cm
Molar Volume: 175.3±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) =  3.98

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  79.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -90.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  90.9  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  37.12
       log Kow used: 3.98 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0669 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.85E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.134E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.98  (KowWin est)
  Log Kaw used:  1.197  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.783
      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)    :   0.3000
   Biowin6 (MITI Non-Linear Model):   0.2470
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1314
 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):  1.17E+004 Pa (88 mm Hg)
  Log Koa (Koawin est  ): 2.783
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.56E-010 
       Octanol/air (Koa) model:  1.49E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.24E-009 
       Mackay model           :  2.05E-008 
       Octanol/air (Koa) model:  1.19E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.0501 E-12 cm3/molecule-sec
      Half-Life =     0.368 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.418 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 1.48E-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 = 2.366 (BCF = 232.3)
       log Kow used: 3.98 (estimated)

 Volatilization from Water:
    Henry LC:  0.385 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.158  hours
    Half-Life from Model Lake :      107.6  hours   (4.483 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.42  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    16.69  percent
    Total to Air:               82.66  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.09            6.38         1000       
   Water     64.5            360          1000       
   Soil      20.5            720          1000       
   Sediment  7.87            3.24e+003    0          
     Persistence Time: 95.1 hr

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