ChemSpider 2D Image | (4-Isopropenylphenyl)(trimethyl)silane | C12H18Si

(4-Isopropenylphenyl)(trimethyl)silane

  • Molecular FormulaC12H18Si
  • Average mass190.357 Da
  • Monoisotopic mass190.117783 Da
  • ChemSpider ID288178

More details:

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

(4-Isopropenylphenyl)(trimethyl)silan [German] [ACD/IUPAC Name]
(4-Isopropenylphenyl)(trimethyl)silane [ACD/IUPAC Name]
(4-Isopropénylphényl)(triméthyl)silane [French] [ACD/IUPAC Name]
1-(1-Methylethenyl)-4-(trimethylsilyl)benzene
17920-24-0 [RN]
Benzene, 1-(1-methylethenyl)-4-(trimethylsilyl)- [ACD/Index Name]
PARA-ISOPROPENYLPHENYLTRIMETHYLSILANE
p-Isopropenylphenyltrimethylsilane
TRIMETHYL-(4-PROP-1-EN-2-YLPHENYL)SILANE

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

NSC294210 [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: 241.8±19.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.9±3.0 kJ/mol
Flash Point: 85.6±15.1 °C
Index of Refraction: 1.485
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5817.21
ACD/KOC (pH 5.5): 17233.54
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5817.21
ACD/KOC (pH 7.4): 17233.54
Polar Surface Area: 0 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 24.6±5.0 dyne/cm
Molar Volume: 219.1±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) =  5.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  222.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.114  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.5849
       log Kow used: 5.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.4814 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.09E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.882E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.76  (KowWin est)
  Log Kaw used:  -0.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.111
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6569
   Biowin2 (Non-Linear Model)     :   0.5758
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7785  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5731  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1927
   Biowin6 (MITI Non-Linear Model):   0.0867
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0110
 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):  14.3 Pa (0.107 mm Hg)
  Log Koa (Koawin est  ): 6.111
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.1E-007 
       Octanol/air (Koa) model:  3.17E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.6E-006 
       Mackay model           :  1.68E-005 
       Octanol/air (Koa) model:  2.54E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  53.8180 E-12 cm3/molecule-sec
      Half-Life =     0.199 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.385 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): 1.22E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5832
      Log Koc:  3.766 

 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 = 3.738 (BCF = 5476)
       log Kow used: 5.76 (estimated)

 Volatilization from Water:
    Henry LC:  0.0109 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.482  hours
    Half-Life from Model Lake :      131.9  hours   (5.494 days)

 Removal In Wastewater Treatment:
    Total removal:              93.07  percent
    Total biodegradation:        0.61  percent
    Total sludge adsorption:    81.97  percent
    Total to Air:               10.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.127           1.42         1000       
   Water     8.26            360          1000       
   Soil      50              720          1000       
   Sediment  41.7            3.24e+003    0          
     Persistence Time: 688 hr

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