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ChemSpider 2D Image | Vinyltrimethoxysilane | C5H12O3Si

Vinyltrimethoxysilane

  • Molecular FormulaC5H12O3Si
  • Average mass148.232 Da
  • Monoisotopic mass148.055573 Da
  • ChemSpider ID68503

More details:

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

(Trimethoxysilyl)ethylene
220-449-8 [EINECS]
2768-02-7 [RN]
ethenyl(trimethoxy)silane
Ethenyltrimethoxysilane
MFCD00008605 [MDL number]
Silane, ethenyltrimethoxy- [ACD/Index Name]
Trimethoxy(vinyl)silan [German] [ACD/IUPAC Name]
Trimethoxy(vinyl)silane [ACD/IUPAC Name]
Triméthoxy(vinyl)silane [French] [ACD/IUPAC Name]
More...

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

0ZIU135UES [DBID]
235768_ALDRICH [DBID]
2768-02-07 [DBID]
440221_ALDRICH [DBID]
95095_FLUKA [DBID]
A 171 [DBID]
BRN 1099136 [DBID]
KBM 1003 [DBID]
SZ 6300 [DBID]
UNII:0ZIU135UES [DBID]
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 123.0±0.0 °C at 760 mmHg
Vapour Pressure: 16.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.6±3.0 kJ/mol
Flash Point: 22.8±0.0 °C
Index of Refraction: 1.398
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 89.36
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.73
ACD/KOC (pH 7.4): 89.36
Polar Surface Area: 28 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 19.5±3.0 dyne/cm
Molar Volume: 161.0±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) =  -0.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  120.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  15.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.44e+005
       log Kow used: -0.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.72E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.086E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.32  (KowWin est)
  Log Kaw used:  -2.448  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.128
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6770
   Biowin2 (Non-Linear Model)     :   0.7117
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8716  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6339  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2909
   Biowin6 (MITI Non-Linear Model):   0.1666
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3768
 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):  1.92E+003 Pa (14.4 mm Hg)
  Log Koa (Koawin est  ): 2.128
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.56E-009 
       Octanol/air (Koa) model:  3.3E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.64E-008 
       Mackay model           :  1.25E-007 
       Octanol/air (Koa) model:  2.64E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.7888 E-12 cm3/molecule-sec
      Half-Life =     0.372 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.458 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 9.07E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  757.6
      Log Koc:  2.879 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -0.32 (estimated)

 Volatilization from Water:
    Henry LC:  8.72E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      9.417  hours
    Half-Life from Model Lake :      204.8  hours   (8.534 days)

 Removal In Wastewater Treatment:
    Total removal:               6.11  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.69  percent
    Total to Air:                4.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.58            8.44         1000       
   Water     51              360          1000       
   Soil      46.3            720          1000       
   Sediment  0.0937          3.24e+003    0          
     Persistence Time: 232 hr

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