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Search term: MF = 'C_{11}H_{26}O_{3}Si_{2}'
ChemSpider 2D Image | Triethoxy[(E)-2-(trimethylsilyl)vinyl]silane | C11H26O3Si2

Triethoxy[(E)-2-(trimethylsilyl)vinyl]silane

  • Molecular FormulaC11H26O3Si2
  • Average mass262.493 Da
  • Monoisotopic mass262.142059 Da
  • ChemSpider ID9251415

  • Double-bond stereo - Double-bond stereo

More details:

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

Silane, triethoxy[(E)-2-(trimethylsilyl)ethenyl]- [ACD/Index Name]
Triethoxy[(E)-2-(trimethylsilyl)vinyl]silan [German] [ACD/IUPAC Name]
Triethoxy[(E)-2-(trimethylsilyl)vinyl]silane [ACD/IUPAC Name]
Triéthoxy[(E)-2-(triméthylsilyl)vinyl]silane [French] [ACD/IUPAC Name]
SILANE, TRIETHOXY[2-(TRIMETHYLSILYL)ETHENYL]- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 232.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 81.1±23.0 °C
Index of Refraction: 1.428
Molar Refractivity: 75.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1412.31
ACD/KOC (pH 5.5): 6256.32
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1412.31
ACD/KOC (pH 7.4): 6256.32
Polar Surface Area: 28 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 294.3±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) =  2.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  243.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  14.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0379  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  59.29
       log Kow used: 2.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  690.63 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.35E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.208E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.96  (KowWin est)
  Log Kaw used:  -1.522  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.482
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6226
   Biowin2 (Non-Linear Model)     :   0.3277
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6191  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4690  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0943
   Biowin6 (MITI Non-Linear Model):   0.0268
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2896
 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):  4.87 Pa (0.0365 mm Hg)
  Log Koa (Koawin est  ): 4.482
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.16E-007 
       Octanol/air (Koa) model:  7.45E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.23E-005 
       Mackay model           :  4.93E-005 
       Octanol/air (Koa) model:  5.96E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  75.3690 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  82.9690 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.703 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.547 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.087500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    13.097 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.549 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 3.58E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.568E+004
      Log Koc:  4.552 

 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 = 1.582 (BCF = 38.21)
       log Kow used: 2.96 (estimated)

 Volatilization from Water:
    Henry LC:  0.000735 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.944  hours
    Half-Life from Model Lake :        168  hours   (6.999 days)

 Removal In Wastewater Treatment:
    Total removal:              27.60  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     4.54  percent
    Total to Air:               22.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.555           3.37         1000       
   Water     17.2            900          1000       
   Soil      81.9            1.8e+003     1000       
   Sediment  0.359           8.1e+003     0          
     Persistence Time: 550 hr

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