ChemSpider 2D Image | Diisopropyldimethoxysilane | C8H20O2Si

Diisopropyldimethoxysilane

  • Molecular FormulaC8H20O2Si
  • Average mass176.329 Da
  • Monoisotopic mass176.123260 Da
  • ChemSpider ID78952

More details:






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

18230-61-0 [RN]
1Y1&-SI-O1&O1&Y1&1 [WLN]
421-540-7 [EINECS]
Diisopropyl(dimethoxy)silan [German] [ACD/IUPAC Name]
Diisopropyl(dimethoxy)silane [ACD/IUPAC Name]
Diisopropyl(diméthoxy)silane [French] [ACD/IUPAC Name]
Diisopropyldimethoxysilane
Dimethoxybis(1-methylethyl)silane
Dimethoxybis(propan-2-yl)silane
Silane, dimethoxybis(1-methylethyl)- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.1 g/cm3
Boiling Point: 165.2±8.0 °C at 760 mmHg
Vapour Pressure: 2.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 52.1±6.0 °C
Index of Refraction: 1.403
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.39
ACD/KOC (pH 5.5): 222.87
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.39
ACD/KOC (pH 7.4): 222.87
Polar Surface Area: 18 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 20.0±3.0 dyne/cm
Molar Volume: 209.8±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) =  2.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  139.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -51.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.56  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  509.3
       log Kow used: 2.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1484e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.68E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.988E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.40  (KowWin est)
  Log Kaw used:  -0.823  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.223
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6636
   Biowin2 (Non-Linear Model)     :   0.6236
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8095  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5933  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0887
   Biowin6 (MITI Non-Linear Model):   0.0661
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0270
 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):  805 Pa (6.04 mm Hg)
  Log Koa (Koawin est  ): 3.223
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.73E-009 
       Octanol/air (Koa) model:  4.1E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.35E-007 
       Mackay model           :  2.98E-007 
       Octanol/air (Koa) model:  3.28E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.5963 E-12 cm3/molecule-sec
      Half-Life =     1.622 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.458 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.16E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1934
      Log Koc:  3.286 

 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 = 1.150 (BCF = 14.12)
       log Kow used: 2.40 (estimated)

 Volatilization from Water:
    Henry LC:  0.00368 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.566  hours
    Half-Life from Model Lake :      128.4  hours   (5.351 days)

 Removal In Wastewater Treatment:
    Total removal:              60.02  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     1.61  percent
    Total to Air:               58.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       19              38.9         1000       
   Water     44.6            360          1000       
   Soil      36.1            720          1000       
   Sediment  0.266           3.24e+003    0          
     Persistence Time: 144 hr




                    

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