ChemSpider 2D Image | Trimethylsilyl | C3H9Si

Trimethylsilyl

  • Molecular FormulaC3H9Si
  • Average mass73.189 Da
  • Monoisotopic mass73.047348 Da
  • ChemSpider ID109962

More details:






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

Silyl radical, trimethyl-
Silyl, trimethyl- [ACD/Index Name]
Trimethylsilyl [ACD/IUPAC Name] [Wiki]
Trimethylsilyl [German] [ACD/IUPAC Name]
Triméthylsilyl [French] [ACD/IUPAC Name]
Trimethylsilyl radical
16571-41-8 [RN]
2,3',4,5'-Tetramethoxystilbene
24144-92-1 [RN]
3,5,2,4-Tetramethoxystilbene
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  20.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -137.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.47E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -135.9 deg C
    BP  (exp database):  6.7 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1870
       log Kow used: 2.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  58.993 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.61E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.968E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.17  (KowWin est)
  Log Kaw used:  0.818  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.352
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7122
   Biowin2 (Non-Linear Model)     :   0.8760
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0352  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7407  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4926
   Biowin6 (MITI Non-Linear Model):   0.6087
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5974
 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):  1.95E+005 Pa (1.46E+003 mm Hg)
  Log Koa (Koawin est  ): 1.352
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.54E-011 
       Octanol/air (Koa) model:  5.52E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.57E-010 
       Mackay model           :  1.23E-009 
       Octanol/air (Koa) model:  4.42E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.4488 E-12 cm3/molecule-sec
      Half-Life =    23.832 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.95E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 0.972 (BCF = 9.373)
       log Kow used: 2.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.161 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.8821  hours   (52.93 min)
    Half-Life from Model Lake :      81.85  hours   (3.41 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.42  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.62  percent
    Total to Air:               97.78  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       53.5            572          1000       
   Water     45.1            360          1000       
   Soil      1.14            720          1000       
   Sediment  0.195           3.24e+003    0          
     Persistence Time: 136 hr




                    

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