ChemSpider 2D Image | CYCLOPENTADIENYLTRIMETHYLSILANE | C8H14Si

CYCLOPENTADIENYLTRIMETHYLSILANE

  • Molecular FormulaC8H14Si
  • Average mass138.282 Da
  • Monoisotopic mass138.086472 Da
  • ChemSpider ID10286811

More details:

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

1,3-Cyclopentadien-1-yl(trimethyl)silan [German] [ACD/IUPAC Name]
1,3-Cyclopentadien-1-yl(trimethyl)silane [ACD/IUPAC Name]
1,3-Cyclopentadién-1-yl(triméthyl)silane [French] [ACD/IUPAC Name]
1,3-Cyclopentadiene, 1-(trimethylsilyl)- [ACD/Index Name]
Cyclopenta-1,3-dien-1-yl(trimethyl)silane
CYCLOPENTADIENYLTRIMETHYLSILANE
(cyclopenta-1,3-dien-1-yl)trimethylsilane
1,3-Cyclopentadiene, (trimethylsilyl)-
25134-15-0 [RN]
29942-99-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.1 g/cm3
Boiling Point: 136.3±19.0 °C at 760 mmHg
Vapour Pressure: 9.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.8±3.0 kJ/mol
Flash Point: 21.2±15.1 °C
Index of Refraction: 1.465
Molar Refractivity: 45.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.46
ACD/KOC (pH 5.5): 1644.85
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.46
ACD/KOC (pH 7.4): 1644.85
Polar Surface Area: 0 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 21.2±5.0 dyne/cm
Molar Volume: 164.3±5.0 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) =  4.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  138.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -44.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.92  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  22.18
       log Kow used: 4.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.7862 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.29E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.677E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.20  (KowWin est)
  Log Kaw used:  0.971  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.229
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6817
   Biowin2 (Non-Linear Model)     :   0.7398
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8936  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6482  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3403
   Biowin6 (MITI Non-Linear Model):   0.2523
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2568
 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):  849 Pa (6.37 mm Hg)
  Log Koa (Koawin est  ): 3.229
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.53E-009 
       Octanol/air (Koa) model:  4.16E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.28E-007 
       Mackay model           :  2.83E-007 
       Octanol/air (Koa) model:  3.33E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 191.0466 E-12 cm3/molecule-sec
      Half-Life =     0.056 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.672 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    34.222500 E-17 cm3/molecule-sec
      Half-Life =     0.033 Days (at 7E11 mol/cm3)
      Half-Life =     48.221 Min
   Fraction sorbed to airborne particulates (phi): 2.05E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  640.2
      Log Koc:  2.806 

 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 = 2.532 (BCF = 340)
       log Kow used: 4.20 (estimated)

 Volatilization from Water:
    Henry LC:  0.229 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.203  hours
    Half-Life from Model Lake :      111.7  hours   (4.655 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.09  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    23.47  percent
    Total to Air:               75.54  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.454           0.503        1000       
   Water     50              360          1000       
   Soil      39.6            720          1000       
   Sediment  9.87            3.24e+003    0          
     Persistence Time: 122 hr

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