ChemSpider 2D Image | Triethyl[(1-methoxy-2-methyl-1-propen-1-yl)oxy]silane | C11H24O2Si

Triethyl[(1-methoxy-2-methyl-1-propen-1-yl)oxy]silane

  • Molecular FormulaC11H24O2Si
  • Average mass216.393 Da
  • Monoisotopic mass216.154556 Da
  • ChemSpider ID9152084

More details:

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

Silane, triethyl[(1-methoxy-2-methyl-1-propen-1-yl)oxy]- [ACD/Index Name]
Triethyl[(1-methoxy-2-methyl-1-propen-1-yl)oxy]silan [German] [ACD/IUPAC Name]
Triethyl[(1-methoxy-2-methyl-1-propen-1-yl)oxy]silane [ACD/IUPAC Name]
Triéthyl[(1-méthoxy-2-méthyl-1-propén-1-yl)oxy]silane [French] [ACD/IUPAC Name]
55453-17-3 [RN]
SILANE, TRIETHYL[(1-METHOXY-2-METHYL-1-PROPENYL)OXY]-
triethyl-(1-methoxy-2-methyl-prop-1-enyloxy)-silane

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

Density: 0.9±0.1 g/cm3
Boiling Point: 223.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.2±3.0 kJ/mol
Flash Point: 73.1±23.0 °C
Index of Refraction: 1.429
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1054.94
ACD/KOC (pH 5.5): 5077.22
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1054.94
ACD/KOC (pH 7.4): 5077.22
Polar Surface Area: 18 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 22.4±3.0 dyne/cm
Molar Volume: 251.8±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) =  3.92

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  221.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.122  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  16.15
       log Kow used: 3.92 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7341.4 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.74E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.151E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.92  (KowWin est)
  Log Kaw used:  0.370  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.550
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2972
   Biowin2 (Non-Linear Model)     :   0.0295
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7123  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5258  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2205
   Biowin6 (MITI Non-Linear Model):   0.0814
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1794
 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):  15.1 Pa (0.113 mm Hg)
  Log Koa (Koawin est  ): 3.550
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.99E-007 
       Octanol/air (Koa) model:  8.71E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.19E-006 
       Mackay model           :  1.59E-005 
       Octanol/air (Koa) model:  6.97E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 147.6856 E-12 cm3/molecule-sec
      Half-Life =     0.072 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.869 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    36.968750 E-17 cm3/molecule-sec
      Half-Life =     0.031 Days (at 7E11 mol/cm3)
      Half-Life =     44.639 Min
   Fraction sorbed to airborne particulates (phi): 1.16E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  692.5
      Log Koc:  2.840 

 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 = 2.318 (BCF = 208.2)
       log Kow used: 3.92 (estimated)

 Volatilization from Water:
    Henry LC:  0.0574 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.516  hours
    Half-Life from Model Lake :      139.9  hours   (5.829 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.21  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:    15.58  percent
    Total to Air:               80.56  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.31            0.521        1000       
   Water     39.6            900          1000       
   Soil      52.4            1.8e+003     1000       
   Sediment  7.74            8.1e+003     0          
     Persistence Time: 198 hr

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