ChemSpider 2D Image | TMSO-ethene | C5H12OSi

TMSO-ethene

  • Molecular FormulaC5H12OSi
  • Average mass116.234 Da
  • Monoisotopic mass116.065742 Da
  • ChemSpider ID72577

More details:

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

(ethenyloxy)trimethylsilane
(Trimethylsiloxy)ethylene
228-281-7 [EINECS]
6213-94-1 [RN]
MFCD00054764 [MDL number]
Silane, (ethenyloxy)trimethyl- [ACD/Index Name]
TMSO-ethene
Trimethyl(vinyloxy)silan [German] [ACD/IUPAC Name]
Trimethyl(vinyloxy)silane [ACD/IUPAC Name]
Triméthyl(vinyloxy)silane [French] [ACD/IUPAC Name]
More...

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

1738846 [DBID]
415014_ALDRICH [DBID]
89787_FLUKA [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: 75.5±8.0 °C at 760 mmHg
Vapour Pressure: 114.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.4±3.0 kJ/mol
Flash Point: -10.7±8.3 °C
Index of Refraction: 1.393
Molar Refractivity: 35.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.38
ACD/KOC (pH 5.5): 332.23
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.38
ACD/KOC (pH 7.4): 332.23
Polar Surface Area: 9 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 16.5±3.0 dyne/cm
Molar Volume: 148.3±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) =  2.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  70.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -85.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  131  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1379
       log Kow used: 2.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  60515 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.08E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.453E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.20  (KowWin est)
  Log Kaw used:  0.645  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.555
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6922
   Biowin2 (Non-Linear Model)     :   0.7955
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9423  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6800  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3861
   Biowin6 (MITI Non-Linear Model):   0.3349
 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):  1.71E+004 Pa (128 mm Hg)
  Log Koa (Koawin est  ): 1.555
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.76E-010 
       Octanol/air (Koa) model:  8.81E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.35E-009 
       Mackay model           :  1.41E-008 
       Octanol/air (Koa) model:  7.05E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.7488 E-12 cm3/molecule-sec
      Half-Life =     0.400 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.798 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): 1.02E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  178.2
      Log Koc:  2.251 

 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 = 0.991 (BCF = 9.798)
       log Kow used: 2.20 (estimated)

 Volatilization from Water:
    Henry LC:  0.108 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.106  hours
    Half-Life from Model Lake :      102.5  hours   (4.27 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.67  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.66  percent
    Total to Air:               96.99  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.9            9.05         1000       
   Water     83.9            360          1000       
   Soil      2.82            720          1000       
   Sediment  0.377           3.24e+003    0          
     Persistence Time: 73.3 hr

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