Found 1 result

Search term: 134695-74-2 (Found by approved synonym)
ChemSpider 2D Image | Trimethyl(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane | C12H22Si

Trimethyl(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane

  • Molecular FormulaC12H22Si
  • Average mass194.389 Da
  • Monoisotopic mass194.149078 Da
  • ChemSpider ID2698180

More details:

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

1,3-Cyclopentadiene, 1,2,3,4-tetramethyl-5-(trimethylsilyl)- [ACD/Index Name]
134695-74-2 [RN]
MFCD00674076 [MDL number]
Trimethyl(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silan [German] [ACD/IUPAC Name]
Trimethyl(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane [ACD/IUPAC Name]
Triméthyl(2,3,4,5-tétraméthyl-2,4-cyclopentadién-1-yl)silane [French] [ACD/IUPAC Name]
Trimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
(2,3,4,5-Tetramethyl-2,4-cyclopentadiene-1-yl)-trimethylsilane
[134695-74-2] [RN]
1,2,3,4-tetramethyl-5-(trimethylsilyl)-1,3-Cyclopentadiene
More...

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

463418_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: 222.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.0±3.0 kJ/mol
Flash Point: 73.5±12.3 °C
Index of Refraction: 1.461
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8473.12
ACD/KOC (pH 5.5): 22557.11
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8473.12
ACD/KOC (pH 7.4): 22557.11
Polar Surface Area: 0 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 22.1±5.0 dyne/cm
Molar Volume: 230.4±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) =  6.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  210.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  15.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.212  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2121
       log Kow used: 6.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.082618 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.15E+000  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.557E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.26  (KowWin est)
  Log Kaw used:  1.672  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.588
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6550
   Biowin2 (Non-Linear Model)     :   0.5618
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7696  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5673  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1491
   Biowin6 (MITI Non-Linear Model):   0.0440
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3185
 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):  26 Pa (0.195 mm Hg)
  Log Koa (Koawin est  ): 4.588
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.15E-007 
       Octanol/air (Koa) model:  9.51E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.17E-006 
       Mackay model           :  9.23E-006 
       Octanol/air (Koa) model:  7.6E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 352.3586 E-12 cm3/molecule-sec
      Half-Life =     0.030 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.856 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  1000.000000 E-17 cm3/molecule-sec
      Half-Life =     0.001 Days (at 7E11 mol/cm3)
      Half-Life =      1.650 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 6.7E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4883
      Log Koc:  3.689 

 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 = 4.117 (BCF = 1.31e+004)
       log Kow used: 6.26 (estimated)

 Volatilization from Water:
    Henry LC:  1.15 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.423  hours
    Half-Life from Model Lake :      132.4  hours   (5.518 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.44  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    61.74  percent
    Total to Air:               37.47  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0021          0.0265       1000       
   Water     6.18            360          1000       
   Soil      32.2            720          1000       
   Sediment  61.6            3.24e+003    0          
     Persistence Time: 845 hr

Click to predict properties on the Chemicalize site


Advertisement