ChemSpider 2D Image | Tetraallylsilane | C12H20Si

Tetraallylsilane

  • Molecular FormulaC12H20Si
  • Average mass192.373 Da
  • Monoisotopic mass192.133423 Da
  • ChemSpider ID491697

More details:

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

1112-66-9 [RN]
1U2-SI-2U1&2U1&2U1 [WLN]
MFCD00048161 [MDL number]
Silane, tetra-2-propen-1-yl- [ACD/Index Name]
Silane, tetra-2-propenyl-
Silane, tetraallyl-
Tetra(2-propenyl)silane
Tetraallylsilan [German] [ACD/IUPAC Name]
Tetraallylsilane [ACD/IUPAC Name]
Tétraallylsilane [French] [ACD/IUPAC Name]
More...

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

1750943 [DBID]
86717_ALDRICH [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: 208.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.7±3.0 kJ/mol
Flash Point: 67.2±17.5 °C
Index of Refraction: 1.450
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5246.53
ACD/KOC (pH 5.5): 16005.79
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5246.53
ACD/KOC (pH 7.4): 16005.79
Polar Surface Area: 0 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 21.8±3.0 dyne/cm
Molar Volume: 242.7±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) =  6.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  199.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -22.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.373  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2942
       log Kow used: 6.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0042303 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.57E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.209E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.10  (KowWin est)
  Log Kaw used:  1.429  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.671
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6560
   Biowin2 (Non-Linear Model)     :   0.5688
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7740  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5702  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4117
   Biowin6 (MITI Non-Linear Model):   0.2753
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0578
 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):  45.5 Pa (0.341 mm Hg)
  Log Koa (Koawin est  ): 4.671
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.6E-008 
       Octanol/air (Koa) model:  1.15E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.38E-006 
       Mackay model           :  5.28E-006 
       Octanol/air (Koa) model:  9.21E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 109.3096 E-12 cm3/molecule-sec
      Half-Life =     0.098 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.174 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     4.800000 E-17 cm3/molecule-sec
      Half-Life =     0.239 Days (at 7E11 mol/cm3)
      Half-Life =      5.730 Hrs
   Fraction sorbed to airborne particulates (phi): 3.83E-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 = 3.998 (BCF = 9963)
       log Kow used: 6.10 (estimated)

 Volatilization from Water:
    Henry LC:  0.657 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.417  hours
    Half-Life from Model Lake :      131.8  hours   (5.49 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.28  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    61.92  percent
    Total to Air:               37.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.14            1.67         1000       
   Water     6.85            360          1000       
   Soil      36.2            720          1000       
   Sediment  56.8            3.24e+003    0          
     Persistence Time: 782 hr

Click to predict properties on the Chemicalize site


Advertisement