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Search term: MF = 'C_{12}H_{26}OSi'
ChemSpider 2D Image | Triisopropyl[(1Z)-1-propen-1-yloxy]silane | C12H26OSi

Triisopropyl[(1Z)-1-propen-1-yloxy]silane

  • Molecular FormulaC12H26OSi
  • Average mass214.420 Da
  • Monoisotopic mass214.175293 Da
  • ChemSpider ID9347014

  • Double-bond stereo - Double-bond stereo

More details:

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

Silane, tris(1-methylethyl)[(1Z)-1-propen-1-yloxy]- [ACD/Index Name]
Triisopropyl[(1Z)-1-propen-1-yloxy]silan [German] [ACD/IUPAC Name]
Triisopropyl[(1Z)-1-propen-1-yloxy]silane [ACD/IUPAC Name]
Triisopropyl[(1Z)-1-propén-1-yloxy]silane [French] [ACD/IUPAC Name]
286933-41-3 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 200.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.9±3.0 kJ/mol
Flash Point: 64.3±8.3 °C
Index of Refraction: 1.430
Molar Refractivity: 68.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3086.44
ACD/KOC (pH 5.5): 10948.34
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3086.44
ACD/KOC (pH 7.4): 10948.34
Polar Surface Area: 9 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 21.6±3.0 dyne/cm
Molar Volume: 263.5±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) =  5.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  196.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -33.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.438  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.024
       log Kow used: 5.33 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  195.63 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.23E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.207E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.33  (KowWin est)
  Log Kaw used:  1.577  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.753
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6455
   Biowin2 (Non-Linear Model)     :   0.4910
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7253  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5384  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0625
   Biowin6 (MITI Non-Linear Model):   0.0225
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3655
 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):  53.3 Pa (0.4 mm Hg)
  Log Koa (Koawin est  ): 3.753
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.62E-008 
       Octanol/air (Koa) model:  1.39E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.03E-006 
       Mackay model           :  4.5E-006 
       Octanol/air (Koa) model:  1.11E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.9417 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  71.5417 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.007 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.794 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 3.27E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.051E+004
      Log Koc:  4.022 

 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 = 3.408 (BCF = 2558)
       log Kow used: 5.33 (estimated)

 Volatilization from Water:
    Henry LC:  0.923 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.495  hours
    Half-Life from Model Lake :      139.1  hours   (5.796 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.78  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    54.06  percent
    Total to Air:               45.56  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.68            3.71         1000       
   Water     13              900          1000       
   Soil      26.7            1.8e+003     1000       
   Sediment  59.6            8.1e+003     0          
     Persistence Time: 576 hr

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