ChemSpider 2D Image | Triethoxy(vinyl)silane | C8H18O3Si

Triethoxy(vinyl)silane

  • Molecular FormulaC8H18O3Si
  • Average mass190.312 Da
  • Monoisotopic mass190.102524 Da
  • ChemSpider ID6269

More details:

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

Triethoxy(vinyl)silane [ACD/IUPAC Name]
(Triethoxysilyl)ethylene
1767229 [Beilstein]
201-081-7 [EINECS]
2O-SI-O2&O2&1U1 [WLN]
4-04-00-04256 [Beilstein]
78-08-0 [RN]
8V1TKX755V
Ethenyl(triethoxy)silane
Ethenyltriethoxysilane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

175560_ALDRICH [DBID]
679275_ALDRICH [DBID]
95080_FLUKA [DBID]
A 151 [DBID]
AI3-51468 [DBID]
BRN 1767229 [DBID]
CCRIS 2645 [DBID]
CV-4910 [DBID]
KBE 1003 [DBID]
NV 1107 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 160.5±0.0 °C at 760 mmHg
Vapour Pressure: 3.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 38.1±3.0 kJ/mol
Flash Point: 34.4±0.0 °C
Index of Refraction: 1.416
Molar Refractivity: 52.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.38
ACD/KOC (pH 5.5): 499.95
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.38
ACD/KOC (pH 7.4): 499.95
Polar Surface Area: 28 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 22.3±3.0 dyne/cm
Molar Volume: 210.5±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) =  1.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  185.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.721  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  160-161 @ 20 mm Hg deg C
    VP  (exp database):  2.28E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5040
       log Kow used: 1.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.5927e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.04E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.582E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.16  (KowWin est)
  Log Kaw used:  -2.079  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.239
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6569
   Biowin2 (Non-Linear Model)     :   0.5760
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7786  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5732  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3140
   Biowin6 (MITI Non-Linear Model):   0.1771
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4548
 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):  304 Pa (2.28 mm Hg)
  Log Koa (Koawin est  ): 3.239
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.87E-009 
       Octanol/air (Koa) model:  4.26E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.56E-007 
       Mackay model           :  7.89E-007 
       Octanol/air (Koa) model:  3.4E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  44.8202 E-12 cm3/molecule-sec
      Half-Life =     0.239 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.864 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): 5.73E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4753
      Log Koc:  3.677 

 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 = 0.190 (BCF = 1.55)
       log Kow used: 1.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.000204 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.367  hours
    Half-Life from Model Lake :      174.2  hours   (7.259 days)

 Removal In Wastewater Treatment:
    Total removal:              10.72  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.67  percent
    Total to Air:                8.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.38            5.53         1000       
   Water     48.9            360          1000       
   Soil      48.6            720          1000       
   Sediment  0.102           3.24e+003    0          
     Persistence Time: 195 hr

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