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Search term: MF = 'C_{6}H_{14}OSi'
ChemSpider 2D Image | Allyloxytrimethylsilane | C6H14OSi

Allyloxytrimethylsilane

  • Molecular FormulaC6H14OSi
  • Average mass130.260 Da
  • Monoisotopic mass130.081390 Da
  • ChemSpider ID78904

More details:

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

(Allyloxy)(trimethyl)silan [German] [ACD/IUPAC Name]
(Allyloxy)(trimethyl)silane [ACD/IUPAC Name]
(Allyloxy)(triméthyl)silane [French] [ACD/IUPAC Name]
18146-00-4 [RN]
242-031-4 [EINECS]
3-(Trimethylsiloxy)propene
allyl trimethylsilyl ether
Allyloxytrimethylsilane
MFCD00008643 [MDL number]
Silane, trimethyl(2-propen-1-yloxy)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

226068_ALDRICH [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 103.0±9.0 °C at 760 mmHg
Vapour Pressure: 38.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.8±3.0 kJ/mol
Flash Point: -0.6±0.0 °C
Index of Refraction: 1.401
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.43
ACD/KOC (pH 5.5): 474.18
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.43
ACD/KOC (pH 7.4): 474.18
Polar Surface Area: 9 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 17.9±3.0 dyne/cm
Molar Volume: 164.8±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) =  2.69

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  94.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -72.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  46.9  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  465
       log Kow used: 2.69 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19694 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.13E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.729E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.69  (KowWin est)
  Log Kaw used:  -0.060  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.750
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6855
   Biowin2 (Non-Linear Model)     :   0.7611
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9113  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6598  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3938
   Biowin6 (MITI Non-Linear Model):   0.3404
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4028
 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):  5.97E+003 Pa (44.8 mm Hg)
  Log Koa (Koawin est  ): 2.750
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.02E-010 
       Octanol/air (Koa) model:  1.38E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.81E-008 
       Mackay model           :  4.02E-008 
       Octanol/air (Koa) model:  1.1E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.4462 E-12 cm3/molecule-sec
      Half-Life =     0.330 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.956 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 2.92E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  328.7
      Log Koc:  2.517 

 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 = 1.369 (BCF = 23.4)
       log Kow used: 2.69 (estimated)

 Volatilization from Water:
    Henry LC:  0.0213 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.196  hours
    Half-Life from Model Lake :      108.7  hours   (4.531 days)

 Removal In Wastewater Treatment:
    Total removal:              89.33  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     1.63  percent
    Total to Air:               87.67  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.12            5.88         1000       
   Water     70.4            360          1000       
   Soil      21.8            720          1000       
   Sediment  0.674           3.24e+003    0          
     Persistence Time: 87.9 hr

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