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Search term: MF = 'C_{12}H_{16}Si'
ChemSpider 2D Image | Di-1,3-cyclopentadien-1-yl(dimethyl)silane | C12H16Si

Di-1,3-cyclopentadien-1-yl(dimethyl)silane

  • Molecular FormulaC12H16Si
  • Average mass188.341 Da
  • Monoisotopic mass188.102127 Da
  • ChemSpider ID10737866

More details:

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

1,3-Cyclopentadiene, 1,1'-(dimethylsilylene)bis- [ACD/Index Name]
Di-1,3-cyclopentadien-1-yl(dimethyl)silan [German] [ACD/IUPAC Name]
Di-1,3-cyclopentadien-1-yl(dimethyl)silane [ACD/IUPAC Name]
Di-1,3-cyclopentadién-1-yl(diméthyl)silane [French] [ACD/IUPAC Name]
107241-50-9 [RN]
18053-74-2 [RN]
biscyclopentadienyldimethyl-silane
Di(cyclopenta-1,3-dien-1-yl)dimethylsilane
DI(CYCLOPENTADIENYL)DIMETHYLSILANE
Silane, dicyclopentadienyldimethyl-

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

    Density: 1.0±0.0 g/cm3
    Boiling Point: 259.1±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 47.7±0.0 kJ/mol
    Flash Point: 96.2±0.0 °C
    Index of Refraction: 1.533
    Molar Refractivity: 61.5±0.0 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.66
    ACD/LogD (pH 5.5): 3.66
    ACD/BCF (pH 5.5): 354.13
    ACD/KOC (pH 5.5): 2324.33
    ACD/LogD (pH 7.4): 3.66
    ACD/BCF (pH 7.4): 354.13
    ACD/KOC (pH 7.4): 2324.33
    Polar Surface Area: 0 Å2
    Polarizability: 24.4±0.0 10-24cm3
    Surface Tension: 27.8±0.0 dyne/cm
    Molar Volume: 198.0±0.0 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) =  5.67

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  236.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0562  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.7134
       log Kow used: 5.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.082822 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.37E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.952E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.67  (KowWin est)
  Log Kaw used:  0.986  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.684
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6579
   Biowin2 (Non-Linear Model)     :   0.5828
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7829  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5760  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2292
   Biowin6 (MITI Non-Linear Model):   0.0972
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0042
 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):  7.15 Pa (0.0536 mm Hg)
  Log Koa (Koawin est  ): 4.684
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.2E-007 
       Octanol/air (Koa) model:  1.19E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.52E-005 
       Mackay model           :  3.36E-005 
       Octanol/air (Koa) model:  9.49E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 381.4947 E-12 cm3/molecule-sec
      Half-Life =     0.028 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.187 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    68.445000 E-17 cm3/molecule-sec
      Half-Life =     0.017 Days (at 7E11 mol/cm3)
      Half-Life =     24.110 Min
   Fraction sorbed to airborne particulates (phi): 2.44E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8426
      Log Koc:  3.926 

 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 = 3.670 (BCF = 4675)
       log Kow used: 5.68 (estimated)

 Volatilization from Water:
    Henry LC:  0.237 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.404  hours
    Half-Life from Model Lake :      130.4  hours   (5.433 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.96  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    60.25  percent
    Total to Air:               38.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0308          0.252        1000       
   Water     9.7             360          1000       
   Soil      48.3            720          1000       
   Sediment  42              3.24e+003    0          
     Persistence Time: 588 hr

    Click to predict properties on the Chemicalize site


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