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Search term: MF = 'C_{9}H_{20}O_{3}Si'
ChemSpider 2D Image | Allyltriethoxysilane | C9H20O3Si

Allyltriethoxysilane

  • Molecular FormulaC9H20O3Si
  • Average mass204.339 Da
  • Monoisotopic mass204.118164 Da
  • ChemSpider ID68210

More details:

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

219-843-2 [EINECS]
2550-04-1 [RN]
Allyl(triethoxy)silan [German] [ACD/IUPAC Name]
Allyl(triethoxy)silane [ACD/IUPAC Name]
Allyl(triéthoxy)silane [French] [ACD/IUPAC Name]
Allyltriethoxysilane
MFCD00009064 [MDL number]
Silane, allyltriethoxy-
Silane, triethoxy-2-propen-1-yl- [ACD/Index Name]
Silane, triethoxy-2-propenyl-
More...

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

01.04.2550 [DBID]
A36301_ALDRICH [DBID]
NSC 89735 [DBID]
NSC89735 [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: 181.5±9.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.1±3.0 kJ/mol
Flash Point: 21.1±0.0 °C
Index of Refraction: 1.420
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.84
ACD/KOC (pH 5.5): 228.32
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.84
ACD/KOC (pH 7.4): 228.32
Polar Surface Area: 28 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 23.0±3.0 dyne/cm
Molar Volume: 227.0±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) =  1.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  206.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -1.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.266  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1628
       log Kow used: 1.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.6791e+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 :   2.66E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.393E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.65  (KowWin est)
  Log Kaw used:  -1.964  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.614
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6503
   Biowin2 (Non-Linear Model)     :   0.5267
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7476  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5529  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3217
   Biowin6 (MITI Non-Linear Model):   0.1807
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4808
 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):  32.5 Pa (0.244 mm Hg)
  Log Koa (Koawin est  ): 3.614
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.22E-008 
       Octanol/air (Koa) model:  1.01E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.33E-006 
       Mackay model           :  7.38E-006 
       Octanol/air (Koa) model:  8.07E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  45.8476 E-12 cm3/molecule-sec
      Half-Life =     0.233 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.800 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): 5.35E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8766
      Log Koc:  3.943 

 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 = 0.569 (BCF = 3.703)
       log Kow used: 1.65 (estimated)

 Volatilization from Water:
    Henry LC:  0.000266 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.605  hours
    Half-Life from Model Lake :      170.1  hours   (7.087 days)

 Removal In Wastewater Treatment:
    Total removal:              12.93  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:               11.09  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.58            4.5          1000       
   Water     45              900          1000       
   Soil      53.3            1.8e+003     1000       
   Sediment  0.125           8.1e+003     0          
     Persistence Time: 278 hr

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