ChemSpider 2D Image | 4,4,6,6-Tetramethyl-3,7-dioxa-4,6-disilanonane | C9H24O2Si2

4,4,6,6-Tetramethyl-3,7-dioxa-4,6-disilanonane

  • Molecular FormulaC9H24O2Si2
  • Average mass220.457 Da
  • Monoisotopic mass220.131485 Da
  • ChemSpider ID10677197

More details:

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

17887-25-1 [RN]
3,7-Dioxa-4,6-disilanonane, 4,4,6,6-tetramethyl- [ACD/Index Name]
4,4,6,6-Tetramethyl-3,7-dioxa-4,6-disilanonan [German] [ACD/IUPAC Name]
4,4,6,6-Tetramethyl-3,7-dioxa-4,6-disilanonane [ACD/IUPAC Name]
4,4,6,6-Tétraméthyl-3,7-dioxa-4,6-disilanonane [French] [ACD/IUPAC Name]
BIS(ETHOXYDIMETHYLSILYL)METHANE
MFCD19105219

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

    Density: 0.8±0.0 g/cm3
    Boiling Point: 191.8±0.0 °C at 760 mmHg
    Vapour Pressure: 0.7±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 41.1±0.0 kJ/mol
    Flash Point: 58.7±0.0 °C
    Index of Refraction: 1.409
    Molar Refractivity: 64.7±0.0 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.22
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 955.28
    ACD/KOC (pH 5.5): 4729.08
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 955.28
    ACD/KOC (pH 7.4): 4729.08
    Polar Surface Area: 18 Å2
    Polarizability: 25.6±0.0 10-24cm3
    Surface Tension: 19.3±0.0 dyne/cm
    Molar Volume: 261.3±0.0 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) =  3.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  179.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -24.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.01  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  18.24
       log Kow used: 3.83 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  40092 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.27E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.606E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.83  (KowWin est)
  Log Kaw used:  -0.591  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.421
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6426
   Biowin2 (Non-Linear Model)     :   0.4696
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7120  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5297  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2070
   Biowin6 (MITI Non-Linear Model):   0.0806
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4366
 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):  122 Pa (0.915 mm Hg)
  Log Koa (Koawin est  ): 4.421
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.46E-008 
       Octanol/air (Koa) model:  6.47E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.88E-007 
       Mackay model           :  1.97E-006 
       Octanol/air (Koa) model:  5.18E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.0753 E-12 cm3/molecule-sec
      Half-Life =     0.760 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.119 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.43E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5279
      Log Koc:  3.723 

 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 = 2.251 (BCF = 178.4)
       log Kow used: 3.83 (estimated)

 Volatilization from Water:
    Henry LC:  0.00627 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.654  hours
    Half-Life from Model Lake :      142.5  hours   (5.939 days)

 Removal In Wastewater Treatment:
    Total removal:              75.15  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:    15.97  percent
    Total to Air:               59.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.67            18.2         1000       
   Water     14.9            900          1000       
   Soil      80.1            1.8e+003     1000       
   Sediment  2.35            8.1e+003     0          
     Persistence Time: 539 hr

    Click to predict properties on the Chemicalize site


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