ChemSpider 2D Image | Allyl(tert-butyl)dimethylsilane | C9H20Si

Allyl(tert-butyl)dimethylsilane

  • Molecular FormulaC9H20Si
  • Average mass156.341 Da
  • Monoisotopic mass156.133423 Da
  • ChemSpider ID8686520

More details:

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

74472-22-3 [RN]
Allyl(dimethyl)(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
Allyl(dimethyl)(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
Allyl(diméthyl)(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
Allyl(tert-butyl)dimethylsilane
Silane, (1,1-dimethylethyl)dimethyl-2-propen-1-yl- [ACD/Index Name]
[74472-22-3] [RN]
3-(dimethyl-tert-butylsilyl)propene
3-Amino-1,2-propanediol [ACD/IUPAC Name]
ACMC-209ov0
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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: 150.4±9.0 °C at 760 mmHg
Vapour Pressure: 4.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.1±3.0 kJ/mol
Flash Point: 33.8±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: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1600.74
ACD/KOC (pH 5.5): 6843.07
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1600.74
ACD/KOC (pH 7.4): 6843.07
Polar Surface Area: 0 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 18.9±3.0 dyne/cm
Molar Volume: 208.0±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) =  4.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  117.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -59.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  17.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.411
       log Kow used: 4.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.31196 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]:  8.115E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.93  (KowWin est)
  Log Kaw used:  1.443  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.487
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4892
   Biowin2 (Non-Linear Model)     :   0.2820
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6415  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4687  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3847
   Biowin6 (MITI Non-Linear Model):   0.2736
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0906
 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):  2.17E+003 Pa (16.3 mm Hg)
  Log Koa (Koawin est  ): 3.487
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.38E-009 
       Octanol/air (Koa) model:  7.53E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.99E-008 
       Mackay model           :  1.1E-007 
       Octanol/air (Koa) model:  6.03E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.1284 E-12 cm3/molecule-sec
      Half-Life =     0.380 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.563 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): 8.01E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  823.3
      Log Koc:  2.916 

 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 = 3.093 (BCF = 1240)
       log Kow used: 4.93 (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:        0.14  percent
    Total sludge adsorption:    46.53  percent
    Total to Air:               53.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.15            6.53         1000       
   Water     23.6            900          1000       
   Soil      27.9            1.8e+003     1000       
   Sediment  46.3            8.1e+003     0          
     Persistence Time: 325 hr

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