ChemSpider 2D Image | Triethoxysilane | C6H16O3Si

Triethoxysilane

  • Molecular FormulaC6H16O3Si
  • Average mass164.275 Da
  • Monoisotopic mass164.086868 Da
  • ChemSpider ID13230

More details:






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

213-650-7 [EINECS]
4-01-00-01359 [Beilstein]
998-30-1 [RN]
MFCD00009061 [MDL number]
Silane, triethoxy- [ACD/Index Name]
Triethoxysilan [German] [ACD/IUPAC Name]
Triethoxysilane [ACD/IUPAC Name]
Triéthoxysilane [French] [ACD/IUPAC Name]
24669-78-1 [RN]
536-75-4 [RN]
More...

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

8T460WDH89 [DBID]
390143_ALDRICH [DBID]
90310_FLUKA [DBID]
BRN 1738989 [DBID]
CT2500 [DBID]
HSDB 6332 [DBID]
NSC 124134 [DBID]
UNII:8T460WDH89 [DBID]
UNII-8T460WDH89 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 133.5±0.0 °C at 760 mmHg
Vapour Pressure: 10.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.6±3.0 kJ/mol
Flash Point: 29.2±18.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.22
ACD/KOC (pH 5.5): 370.46
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.22
ACD/KOC (pH 7.4): 370.46
Polar Surface Area: 28 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.97

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  34.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -11.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  523  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  189.1
       log Kow used: 2.97 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  952.28 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.978E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4342
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5634  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.6901  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6291
   Biowin6 (MITI Non-Linear Model):   0.5442
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1693
 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):  6.96E+004 Pa (522 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.31E-011 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.56E-009 
       Mackay model           :  3.45E-009 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.5E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1586
      Log Koc:  3.200 

 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 = 1.589 (BCF = 38.83)
       log Kow used: 2.97 (estimated)

 Volatilization from Water:
    Henry LC:  0.598 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.309  hours
    Half-Life from Model Lake :      121.8  hours   (5.073 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.57  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     2.38  percent
    Total to Air:               97.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       48.3            1e+005       1000       
   Water     49.3            4.32e+003    1000       
   Soil      1.07            8.64e+003    1000       
   Sediment  1.29            3.89e+004    0          
     Persistence Time: 185 hr




                    

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