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ChemSpider 2D Image | Dimethyl[bis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)]silan | C20H32Si

Dimethyl[bis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)]silan

  • Molecular FormulaC20H32Si
  • Average mass300.554 Da
  • Monoisotopic mass300.227325 Da
  • ChemSpider ID522934

More details:

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

1,3-Cyclopentadiene, 5,5'-(dimethylsilylene)bis[1,2,3,4-tetramethyl- [ACD/Index Name]
89597-05-7 [RN]
Bis-(2,3,4,5-tetramethyl-2,4-cyclopentadiene-1-yl)-dimethylsilane
Dimethyl[bis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)]silan
Dimethyl[bis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)]silan [German] [ACD/IUPAC Name]
Dimethyl[bis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)]silane [ACD/IUPAC Name]
Diméthyl[bis(2,3,4,5-tétraméthyl-2,4-cyclopentadién-1-yl)]silane
Diméthyl[bis(2,3,4,5-tétraméthyl-2,4-cyclopentadién-1-yl)]silane [French] [ACD/IUPAC Name]
Dimethyl[bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)]silane
1-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-hydroxypyrimidine-2,4(1H,3H)-dione;ST082427
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

446750_ALDRICH [DBID]
E4 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 358.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 156.5±12.8 °C
Index of Refraction: 1.502
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 789797.56
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 789797.56
Polar Surface Area: 0 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 26.9±5.0 dyne/cm
Molar Volume: 328.9±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) =  9.79

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  340.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  107.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.47E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000223 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.269e-005
       log Kow used: 9.79 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00014308 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.99E+000  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.604E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.79  (KowWin est)
  Log Kaw used:  2.389  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.401
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6045
   Biowin2 (Non-Linear Model)     :   0.2211
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5350  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4141  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1530
   Biowin6 (MITI Non-Linear Model):   0.0020
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1193
 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):  0.0297 Pa (0.000223 mm Hg)
  Log Koa (Koawin est  ): 7.401
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000101 
       Octanol/air (Koa) model:  6.18E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00363 
       Mackay model           :  0.00801 
       Octanol/air (Koa) model:  0.000494 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 704.1187 E-12 cm3/molecule-sec
      Half-Life =     0.015 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.937 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  2000.000000 E-17 cm3/molecule-sec
      Half-Life =     0.001 Days (at 7E11 mol/cm3)
      Half-Life =      0.825 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.00582 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.903E+005
      Log Koc:  5.690 

 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 = 0.982 (BCF = 9.599)
       log Kow used: 9.79 (estimated)

 Volatilization from Water:
    Henry LC:  5.99 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.769  hours
    Half-Life from Model Lake :      164.7  hours   (6.861 days)

 Removal In Wastewater Treatment:
    Total removal:              94.14  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.67  percent
    Total to Air:                0.71  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000206        0.0133       1000       
   Water     1.91            900          1000       
   Soil      27.9            1.8e+003     1000       
   Sediment  70.1            8.1e+003     0          
     Persistence Time: 3.09e+003 hr

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