ChemSpider 2D Image | Triallylsilane | C9H16Si

Triallylsilane

  • Molecular FormulaC9H16Si
  • Average mass152.309 Da
  • Monoisotopic mass152.102127 Da
  • ChemSpider ID478591

More details:

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

Silane, tri-2-propen-1-yl- [ACD/Index Name]
Triallylsilan [German] [ACD/IUPAC Name]
Triallylsilane [ACD/IUPAC Name]
Triallylsilane [French] [ACD/IUPAC Name]
1116-62-7 [RN]
MFCD00800603
Silane,tri-2-propen-1-yl-
Tri-2-propenylsilane
Triallyl silane
TRIS(PROP-2-EN-1-YL)SILANE
More...

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

Density:
Boiling Point: 166.5±9.0 °C at 760 mmHg
Vapour Pressure: 2.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.6±3.0 kJ/mol
Flash Point: 49.7±14.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 595.57
ACD/KOC (pH 5.5): 3372.07
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 595.57
ACD/KOC (pH 7.4): 3372.07
Polar Surface Area: 0 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) =  5.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  89.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.48  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  57.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.9145
       log Kow used: 5.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0050633 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]:  1.258E+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)         :   0.1232
   Biowin2 (Non-Linear Model)     :   0.0131
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2262  (months      )
   Biowin4 (Primary Survey Model) :   3.1677  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4619
   Biowin6 (MITI Non-Linear Model):   0.3375
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1666
 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):  7.33E+003 Pa (55 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.09E-010 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.48E-008 
       Mackay model           :  3.27E-008 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 330.0000 E-12 cm3/molecule-sec
      Half-Life =     0.032 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    23.337 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.525000 E-17 cm3/molecule-sec
      Half-Life =     2.183 Days (at 7E11 mol/cm3)
      Half-Life =     52.389 Hrs
   Fraction sorbed to airborne particulates (phi): 2.38E-008 (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 = 3.726 (BCF = 5320)
       log Kow used: 5.75 (estimated)

 Volatilization from Water:
    Henry LC:  12.6 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.259  hours
    Half-Life from Model Lake :      117.2  hours   (4.884 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.98  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    57.41  percent
    Total to Air:               42.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0755          0.766        1000       
   Water     6.71            1.44e+003    1000       
   Soil      3.08            2.88e+003    1000       
   Sediment  90.1            1.3e+004     0          
     Persistence Time: 1.16e+003 hr

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