Found 1 result

Search term: 42466-59-1 (Found by approved synonym)
ChemSpider 2D Image | 2-Methyl-1-(trimethylsilyl)-1H-indene | C13H18Si

2-Methyl-1-(trimethylsilyl)-1H-indene

  • Molecular FormulaC13H18Si
  • Average mass202.367 Da
  • Monoisotopic mass202.117783 Da
  • ChemSpider ID10295826

More details:

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

1H-Indene, 2-methyl-1-(trimethylsilyl)- [ACD/Index Name]
2-Methyl-1-(trimethylsilyl)-1H-indene
42466-59-1 [RN]
Trimethyl(2-methyl-1H-inden-1-yl)silan [German] [ACD/IUPAC Name]
Trimethyl(2-methyl-1H-inden-1-yl)silane [ACD/IUPAC Name]
Triméthyl(2-méthyl-1H-indén-1-yl)silane [French] [ACD/IUPAC Name]
1H-2-Methylindenyl-1-trimethylsilane
1H-Indene,2-methyl-1-(trimethylsilyl)-
1-trimethylsilyl-2-methylindene
MFCD06796947
More...

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

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: 270.5±19.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.8±3.0 kJ/mol
    Flash Point: 103.1±15.1 °C
    Index of Refraction: 1.521
    Molar Refractivity: 65.5±0.4 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.01
    ACD/LogD (pH 5.5): 4.75
    ACD/BCF (pH 5.5): 2396.59
    ACD/KOC (pH 5.5): 9135.01
    ACD/LogD (pH 7.4): 4.75
    ACD/BCF (pH 7.4): 2396.59
    ACD/KOC (pH 7.4): 9135.01
    Polar Surface Area: 0 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 27.9±5.0 dyne/cm
    Molar Volume: 215.3±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) =  5.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  251.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  37.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0196  (Modified Grain method)
    Subcooled liquid VP: 0.0252 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):  0.6869
       log Kow used: 5.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.016003 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.47E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.598E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.61  (KowWin est)
  Log Kaw used:  -0.515  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.125
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6512
   Biowin2 (Non-Linear Model)     :   0.5337
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7520  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5558  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1410
   Biowin6 (MITI Non-Linear Model):   0.0782
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0956
 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):  3.36 Pa (0.0252 mm Hg)
  Log Koa (Koawin est  ): 6.125
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.93E-007 
       Octanol/air (Koa) model:  3.27E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.22E-005 
       Mackay model           :  7.14E-005 
       Octanol/air (Koa) model:  2.62E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  93.1997 E-12 cm3/molecule-sec
      Half-Life =     0.115 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.377 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    88.724998 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     18.599 Min
   Fraction sorbed to airborne particulates (phi): 5.18E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.2E+004
      Log Koc:  4.079 

 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 = 3.621 (BCF = 4175)
       log Kow used: 5.61 (estimated)

 Volatilization from Water:
    Henry LC:  0.00747 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.563  hours
    Half-Life from Model Lake :      136.3  hours   (5.681 days)

 Removal In Wastewater Treatment:
    Total removal:              91.99  percent
    Total biodegradation:        0.61  percent
    Total sludge adsorption:    81.12  percent
    Total to Air:               10.25  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0285          0.279        1000       
   Water     9.25            360          1000       
   Soil      54.7            720          1000       
   Sediment  36              3.24e+003    0          
     Persistence Time: 628 hr

    Click to predict properties on the Chemicalize site


    Advertisement