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Search term: 17988-44-2 (Found by approved synonym)
ChemSpider 2D Image | 1-(TRIMETHYLSILYLETHYNYL)CYCLOHEXENE | C11H18Si

1-(TRIMETHYLSILYLETHYNYL)CYCLOHEXENE

  • Molecular FormulaC11H18Si
  • Average mass178.346 Da
  • Monoisotopic mass178.117783 Da
  • ChemSpider ID9990858

More details:

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

(1-Cyclohexen-1-ylethinyl)(trimethyl)silan [German] [ACD/IUPAC Name]
(1-Cyclohexen-1-ylethynyl)(trimethyl)silane [ACD/IUPAC Name]
(1-Cyclohexén-1-yléthynyl)(triméthyl)silane [French] [ACD/IUPAC Name]
(Cyclohex-1-en-1-ylethynyl)(trimethyl)silane
1-(TRIMETHYLSILYLETHYNYL)CYCLOHEXENE
17988-44-2 [RN]
Cyclohexene, 1-[2-(trimethylsilyl)ethynyl]- [ACD/Index Name]
(1-CYCLOHEXEN-1-YLETHYNYL)TRIMETHYLSILANE
(cyclohex-1-en-1-ylethynyl)trimethylsilane
[2-(cyclohex-1-en-1-yl)ethynyl]trimethylsilane
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 227.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.5±3.0 kJ/mol
    Flash Point: 81.1±0.0 °C
    Index of Refraction: 1.475
    Molar Refractivity: 57.4±0.4 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.95
    ACD/LogD (pH 5.5): 4.50
    ACD/BCF (pH 5.5): 1537.60
    ACD/KOC (pH 5.5): 6648.77
    ACD/LogD (pH 7.4): 4.50
    ACD/BCF (pH 7.4): 1537.60
    ACD/KOC (pH 7.4): 6648.77
    Polar Surface Area: 0 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 26.5±5.0 dyne/cm
    Molar Volume: 203.8±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) =  5.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  215.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  34.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.129  (Modified Grain method)
    Subcooled liquid VP: 0.156 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):  2.158
       log Kow used: 5.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.34141 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.13E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.403E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.17  (KowWin est)
  Log Kaw used:  0.399  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.771
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6626
   Biowin2 (Non-Linear Model)     :   0.6168
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8050  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5904  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2679
   Biowin6 (MITI Non-Linear Model):   0.1694
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0438
 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):  20.8 Pa (0.156 mm Hg)
  Log Koa (Koawin est  ): 4.771
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.44E-007 
       Octanol/air (Koa) model:  1.45E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.21E-006 
       Mackay model           :  1.15E-005 
       Octanol/air (Koa) model:  1.16E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 141.4925 E-12 cm3/molecule-sec
      Half-Life =     0.076 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.907 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.396749 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.718 Hrs
   Fraction sorbed to airborne particulates (phi): 8.37E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3887
      Log Koc:  3.590 

 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 = 3.281 (BCF = 1908)
       log Kow used: 5.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.0613 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.376  hours
    Half-Life from Model Lake :        127  hours   (5.291 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.40  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    55.69  percent
    Total to Air:               41.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.198           1.22         1000       
   Water     13.2            360          1000       
   Soil      64.9            720          1000       
   Sediment  21.6            3.24e+003    0          
     Persistence Time: 453 hr

    Click to predict properties on the Chemicalize site


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