ChemSpider 2D Image | DI-t-BUTYLMETHYLCHLOROSILANE | C9H21ClSi

DI-t-BUTYLMETHYLCHLOROSILANE

  • Molecular FormulaC9H21ClSi
  • Average mass192.801 Da
  • Monoisotopic mass192.110107 Da
  • ChemSpider ID104503

More details:

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

70892-81-8 [RN]
Chlor(methyl)bis(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
Chloro(methyl)bis(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
Chloro(méthyl)bis(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
Chlorobis(1,1-dimethylethyl)methylsilane
DI-t-BUTYLMETHYLCHLOROSILANE
Silane, chlorobis(1,1-dimethylethyl)methyl- [ACD/Index Name]
Di-t-butylmethyl chlorosilane
Di-tert-butyl(chlor)methylsilan
di-tert-butyl(chloro)methylsilane
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 188.5±9.0 °C at 760 mmHg
    Vapour Pressure: 0.8±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.7±3.0 kJ/mol
    Flash Point: 57.5±8.3 °C
    Index of Refraction: 1.424
    Molar Refractivity: 57.2±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.63
    ACD/LogD (pH 5.5): 4.92
    ACD/BCF (pH 5.5): 3249.61
    ACD/KOC (pH 5.5): 11359.62
    ACD/LogD (pH 7.4): 4.92
    ACD/BCF (pH 7.4): 3249.61
    ACD/KOC (pH 7.4): 11359.62
    Polar Surface Area: 0 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 20.6±3.0 dyne/cm
    Molar Volume: 224.3±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) =  5.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  130.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -38.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.61  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.705
       log Kow used: 5.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.28743 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.50E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.430E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.21  (KowWin est)
  Log Kaw used:  1.156  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.054
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2879
   Biowin2 (Non-Linear Model)     :   0.0401
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3489  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2627  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2767
   Biowin6 (MITI Non-Linear Model):   0.1085
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3894
 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):  1.19E+003 Pa (8.89 mm Hg)
  Log Koa (Koawin est  ): 4.054
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.53E-009 
       Octanol/air (Koa) model:  2.78E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.14E-008 
       Mackay model           :  2.02E-007 
       Octanol/air (Koa) model:  2.22E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.1533 E-12 cm3/molecule-sec
      Half-Life =     9.274 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   111.293 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.47E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1038
      Log Koc:  3.016 

 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 = 3.309 (BCF = 2035)
       log Kow used: 5.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.35 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.419  hours
    Half-Life from Model Lake :      131.9  hours   (5.496 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.47  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    52.82  percent
    Total to Air:               46.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.45            223          1000       
   Water     11.4            900          1000       
   Soil      39.4            1.8e+003     1000       
   Sediment  40.8            8.1e+003     0          
     Persistence Time: 664 hr

    Click to predict properties on the Chemicalize site


    Advertisement