ChemSpider 2D Image | Allyl(triethyl)silane | C9H20Si

Allyl(triethyl)silane

  • Molecular FormulaC9H20Si
  • Average mass156.341 Da
  • Monoisotopic mass156.133423 Da
  • ChemSpider ID9369531

More details:

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

Allyl(triethyl)silan [German] [ACD/IUPAC Name]
Allyl(triethyl)silane [ACD/IUPAC Name]
Allyl(triéthyl)silane [French] [ACD/IUPAC Name]
Silane, triethyl-2-propen-1-yl- [ACD/Index Name]
[17898-21-4] [RN]
17898-21-4 [RN]
ACMC-209ef5
AGN-PC-014PMY
AKOS015838917
allyl-SiEt3
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.1 g/cm3
Boiling Point: 159.7±9.0 °C at 760 mmHg
Vapour Pressure: 3.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.0±3.0 kJ/mol
Flash Point: 39.1±17.5 °C
Index of Refraction: 1.416
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1797.27
ACD/KOC (pH 5.5): 7434.46
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1797.27
ACD/KOC (pH 7.4): 7434.46
Polar Surface Area: 0 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 19.8±3.0 dyne/cm
Molar Volume: 207.9±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) =  5.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  140.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -53.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.21  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.546
       log Kow used: 5.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.12675 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.79E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.603E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.04  (KowWin est)
  Log Kaw used:  1.443  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.597
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6731
   Biowin2 (Non-Linear Model)     :   0.6875
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8537  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6222  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4645
   Biowin6 (MITI Non-Linear Model):   0.4685
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4808
 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):  761 Pa (5.71 mm Hg)
  Log Koa (Koawin est  ): 3.597
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.94E-009 
       Octanol/air (Koa) model:  9.71E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.42E-007 
       Mackay model           :  3.15E-007 
       Octanol/air (Koa) model:  7.76E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.9114 E-12 cm3/molecule-sec
      Half-Life =     0.346 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.152 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): 2.29E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1397
      Log Koc:  3.145 

 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 = 3.179 (BCF = 1510)
       log Kow used: 5.04 (estimated)

 Volatilization from Water:
    Henry LC:  0.679 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.277  hours
    Half-Life from Model Lake :      118.8  hours   (4.949 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.74  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    49.08  percent
    Total to Air:               50.50  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.45            6.1          1000       
   Water     25.5            360          1000       
   Soil      40.3            720          1000       
   Sediment  31.8            3.24e+003    0          
     Persistence Time: 236 hr

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