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Search term: C7H14Si (Found by molecular formula)
ChemSpider 2D Image | allyl-tert-butyl-silicon | C7H14Si

allyl-tert-butyl-silicon

  • Molecular FormulaC7H14Si
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID9564299

More details:

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

Density:
Boiling Point: 119.7±19.0 °C at 760 mmHg
Vapour Pressure: 18.8±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.3±3.0 kJ/mol
Flash Point: 26.2±21.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  77.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -73.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  96.6  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  49.86
       log Kow used: 3.83 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.124 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.58E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.270E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.83  (KowWin est)
  Log Kaw used:  1.165  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.665
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5025
   Biowin2 (Non-Linear Model)     :   0.3691
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7035  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5092  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4673
   Biowin6 (MITI Non-Linear Model):   0.4488
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0686
 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):  1.25E+004 Pa (93.7 mm Hg)
  Log Koa (Koawin est  ): 2.665
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.4E-010 
       Octanol/air (Koa) model:  1.14E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.67E-009 
       Mackay model           :  1.92E-008 
       Octanol/air (Koa) model:  9.08E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.8292 E-12 cm3/molecule-sec
      Half-Life =     0.384 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.612 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): 1.39E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  328.7
      Log Koc:  2.517 

 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 = 2.251 (BCF = 178.1)
       log Kow used: 3.83 (estimated)

 Volatilization from Water:
    Henry LC:  0.358 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:              99.35  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:    12.91  percent
    Total to Air:               86.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.53            6.58         1000       
   Water     68.8            900          1000       
   Soil      13.8            1.8e+003     1000       
   Sediment  10.9            8.1e+003     0          
     Persistence Time: 113 hr

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