ChemSpider 2D Image | MFCD00008607 | C8H12Si

MFCD00008607

  • Molecular FormulaC8H12Si
  • Average mass136.266 Da
  • Monoisotopic mass136.070831 Da
  • ChemSpider ID59574

More details:






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

1112-55-6 [RN]
214-192-0 [EINECS]
MFCD00008607
Silane, tetraethenyl- [ACD/Index Name]
Silane, tetravinyl-
Tetraethenylsilane
Tetravinylsilan [German] [ACD/IUPAC Name]
Tetravinylsilane [ACD/IUPAC Name]
Tétravinylsilane [French] [ACD/IUPAC Name]
(CH2=CH)4Si
More...

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

1739438 [DBID]
318256_ALDRICH [DBID]
NSC 113262 [DBID]
NSC113262 [DBID]
TQO34μ4LJ [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: 130.2±9.0 °C at 760 mmHg
Vapour Pressure: 12.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.3±3.0 kJ/mol
Flash Point: 6.1±0.0 °C
Index of Refraction: 1.442
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.87
ACD/KOC (pH 5.5): 2247.42
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.87
ACD/KOC (pH 7.4): 2247.42
Polar Surface Area: 0 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 18.3±3.0 dyne/cm
Molar Volume: 176.7±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) =  4.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  112.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -70.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.92  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  130.2 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  25.41
       log Kow used: 4.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.4214 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.26E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.000E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.14  (KowWin est)
  Log Kaw used:  0.966  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.174
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6827
   Biowin2 (Non-Linear Model)     :   0.7453
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8980  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6511  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3810
   Biowin6 (MITI Non-Linear Model):   0.2561
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0462
 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):  1.22E+003 Pa (9.18 mm Hg)
  Log Koa (Koawin est  ): 3.174
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.45E-009 
       Octanol/air (Koa) model:  3.66E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.85E-008 
       Mackay model           :  1.96E-007 
       Octanol/air (Koa) model:  2.93E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 105.2000 E-12 cm3/molecule-sec
      Half-Life =     0.102 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.220 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.700000 E-17 cm3/molecule-sec
      Half-Life =     1.637 Days (at 7E11 mol/cm3)
      Half-Life =     39.291 Hrs
   Fraction sorbed to airborne particulates (phi): 1.42E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  757.6
      Log Koc:  2.879 

 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 = 2.486 (BCF = 306.1)
       log Kow used: 4.14 (estimated)

 Volatilization from Water:
    Henry LC:  0.226 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.194  hours
    Half-Life from Model Lake :      110.9  hours   (4.621 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.06  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    21.53  percent
    Total to Air:               77.45  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.11            2.3          1000       
   Water     51.9            360          1000       
   Soil      37              720          1000       
   Sediment  8.98            3.24e+003    0          
     Persistence Time: 118 hr




                    

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