ChemSpider 2D Image | (5-Hexyn-1-yloxy)(dimethyl)(2-methyl-2-propanyl)silane | C12H24OSi

(5-Hexyn-1-yloxy)(dimethyl)(2-methyl-2-propanyl)silane

  • Molecular FormulaC12H24OSi
  • Average mass212.404 Da
  • Monoisotopic mass212.159637 Da
  • ChemSpider ID9184634

More details:

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

(5-Hexin-1-yloxy)(dimethyl)(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
(5-Hexyn-1-yloxy)(dimethyl)(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
(5-Hexyn-1-yloxy)(diméthyl)(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
Silane, (1,1-dimethylethyl)(5-hexyn-1-yloxy)dimethyl- [ACD/Index Name]
6-(t-butyldimethylsilyloxy)-1-hexyne
6-(tert-butyldimethylsilyloxy)-1-hexyne
73448-13-2 [RN]
TERT-BUTYL(HEX-5-YN-1-YLOXY)DIMETHYLSILANE
tert-butyl-hex-5-ynoxy-dimethylsilane

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

    Density: 0.8±0.1 g/cm3
    Boiling Point: 229.2±23.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.7±3.0 kJ/mol
    Flash Point: 86.6±12.8 °C
    Index of Refraction: 1.435
    Molar Refractivity: 65.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.32
    ACD/LogD (pH 5.5): 3.89
    ACD/BCF (pH 5.5): 535.44
    ACD/KOC (pH 5.5): 3124.76
    ACD/LogD (pH 7.4): 3.89
    ACD/BCF (pH 7.4): 535.44
    ACD/KOC (pH 7.4): 3124.76
    Polar Surface Area: 9 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 24.6±3.0 dyne/cm
    Molar Volume: 252.5±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) =  4.89

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  212.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.189  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.528
       log Kow used: 4.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  89.814 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Silanes (alkoxy)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.93E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.090E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.89  (KowWin est)
  Log Kaw used:  -0.103  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.993
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4625
   Biowin2 (Non-Linear Model)     :   0.1505
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5177  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3878  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3476
   Biowin6 (MITI Non-Linear Model):   0.1990
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2080
 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):  23.2 Pa (0.174 mm Hg)
  Log Koa (Koawin est  ): 4.993
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-007 
       Octanol/air (Koa) model:  2.42E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.67E-006 
       Mackay model           :  1.03E-005 
       Octanol/air (Koa) model:  1.93E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.3916 E-12 cm3/molecule-sec
      Half-Life =     0.500 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.000 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 7.51E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9527
      Log Koc:  3.979 

 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 = 3.064 (BCF = 1158)
       log Kow used: 4.89 (estimated)

 Volatilization from Water:
    Henry LC:  0.0193 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.531  hours
    Half-Life from Model Lake :      138.9  hours   (5.788 days)

 Removal In Wastewater Treatment:
    Total removal:              93.18  percent
    Total biodegradation:        0.27  percent
    Total sludge adsorption:    52.53  percent
    Total to Air:               40.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.95            12           1000       
   Water     8.53            900          1000       
   Soil      75.2            1.8e+003     1000       
   Sediment  15.3            8.1e+003     0          
     Persistence Time: 908 hr

    Click to predict properties on the Chemicalize site


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