ChemSpider 2D Image | Diisobutyldimethoxysilane | C10H24O2Si

Diisobutyldimethoxysilane

  • Molecular FormulaC10H24O2Si
  • Average mass204.382 Da
  • Monoisotopic mass204.154556 Da
  • ChemSpider ID2341376

More details:

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

17980-32-4 [RN]
1Y1&1-SI-O1&O1&1Y1&1 [WLN]
2636371 [Beilstein]
404-020-4 [EINECS]
Diisobutyl(dimethoxy)silan [German] [ACD/IUPAC Name]
Diisobutyl(dimethoxy)silane
Diisobutyl(diméthoxy)silane [French] [ACD/IUPAC Name]
Diisobutyldimethoxysilane [ACD/IUPAC Name]
Dimethoxybis(2-methylpropyl)silane
Silane, dimethoxybis(2-methylpropyl)- [ACD/Index Name]
More...

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

Density: 0.8±0.1 g/cm3
Boiling Point: 199.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.8±3.0 kJ/mol
Flash Point: 84.0±6.0 °C
Index of Refraction: 1.413
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.85
ACD/KOC (pH 5.5): 554.74
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.85
ACD/KOC (pH 7.4): 554.74
Polar Surface Area: 18 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 242.8±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) =  3.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  182.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -27.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.855  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  53.46
       log Kow used: 3.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11224 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.49E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.301E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.38  (KowWin est)
  Log Kaw used:  -0.576  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.956
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6502
   Biowin2 (Non-Linear Model)     :   0.5266
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7475  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5529  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1040
   Biowin6 (MITI Non-Linear Model):   0.0692
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0789
 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):  104 Pa (0.777 mm Hg)
  Log Koa (Koawin est  ): 3.956
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.9E-008 
       Octanol/air (Koa) model:  2.22E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.05E-006 
       Mackay model           :  2.32E-006 
       Octanol/air (Koa) model:  1.77E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.6281 E-12 cm3/molecule-sec
      Half-Life =     1.111 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.331 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.68E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  6159
      Log Koc:  3.790 

 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 = 1.906 (BCF = 80.56)
       log Kow used: 3.38 (estimated)

 Volatilization from Water:
    Henry LC:  0.00649 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.588  hours
    Half-Life from Model Lake :      137.2  hours   (5.717 days)

 Removal In Wastewater Treatment:
    Total removal:              73.44  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     6.88  percent
    Total to Air:               66.49  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.53            26.7         1000       
   Water     24.5            900          1000       
   Soil      67.7            1.8e+003     1000       
   Sediment  1.34            8.1e+003     0          
     Persistence Time: 328 hr

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