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Search term: 18053-75-3 (Found by approved synonym)
ChemSpider 2D Image | 1-(Trimethylsilyl)indene | C12H16Si

1-(Trimethylsilyl)indene

  • Molecular FormulaC12H16Si
  • Average mass188.341 Da
  • Monoisotopic mass188.102127 Da
  • ChemSpider ID123758

More details:

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

1-(Trimethylsilyl)indene
18053-75-3 [RN]
1H-Inden-1-yl(trimethyl)silan [German] [ACD/IUPAC Name]
1H-Inden-1-yl(trimethyl)silane [ACD/IUPAC Name]
1H-Indén-1-yl(triméthyl)silane [French] [ACD/IUPAC Name]
1H-INDEN-1-YLTRIMETHYLSILANE
1H-Indene, 1-(trimethylsilyl)- [ACD/Index Name]
Silane, 1H-inden-1-yltrimethyl-
(1H-Inden-1-yl)trimethylsilane
1H-Indenyl-1-trimethylsilane
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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: 255.4±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 93.9±15.1 °C
Index of Refraction: 1.526
Molar Refractivity: 61.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1241.67
ACD/KOC (pH 5.5): 5705.44
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1241.67
ACD/KOC (pH 7.4): 5705.44
Polar Surface Area: 0 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 28.1±5.0 dyne/cm
Molar Volume: 199.1±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) =  5.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  234.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0611  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.373
       log Kow used: 5.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.031209 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.76E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.381E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.06  (KowWin est)
  Log Kaw used:  -0.711  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.771
      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)    :   0.1885
   Biowin6 (MITI Non-Linear Model):   0.1137
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1017
 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):  7.73 Pa (0.058 mm Hg)
  Log Koa (Koawin est  ): 5.771
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.88E-007 
       Octanol/air (Koa) model:  1.45E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.4E-005 
       Mackay model           :  3.1E-005 
       Octanol/air (Koa) model:  1.16E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  62.5637 E-12 cm3/molecule-sec
      Half-Life =     0.171 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.052 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi): 2.25E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  7257
      Log Koc:  3.861 

 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 = 3.199 (BCF = 1582)
       log Kow used: 5.06 (estimated)

 Volatilization from Water:
    Henry LC:  0.00476 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.569  hours
    Half-Life from Model Lake :      132.2  hours   (5.508 days)

 Removal In Wastewater Treatment:
    Total removal:              86.77  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    68.24  percent
    Total to Air:               18.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.188           1.35         1000       
   Water     12.7            360          1000       
   Soil      70.6            720          1000       
   Sediment  16.5            3.24e+003    0          
     Persistence Time: 482 hr

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