ChemSpider 2D Image | cis-1-(Trimethylsilyl)-1-hexene | C9H20Si

cis-1-(Trimethylsilyl)-1-hexene

  • Molecular FormulaC9H20Si
  • Average mass156.341 Da
  • Monoisotopic mass156.133423 Da
  • ChemSpider ID5020381

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-1-Hexen-1-yl(trimethyl)silan [German] [ACD/IUPAC Name]
(1E)-1-Hexen-1-yl(trimethyl)silane [ACD/IUPAC Name]
(1E)-1-Hexén-1-yl(triméthyl)silane [French] [ACD/IUPAC Name]
(1E)-1-Hexen-1-yltrimethylsilane
54731-58-7 [RN]
cis-1-(Trimethylsilyl)-1-hexene
Silane, (1E)-1-hexen-1-yltrimethyl- [ACD/Index Name]
(1E)-HEX-1-EN-1-YLTRIMETHYLSILANE
HEX-1-EN-1-YLTRIMETHYLSILANE

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

Density: 0.8±0.1 g/cm3
Boiling Point: 153.6±0.0 °C at 760 mmHg
Vapour Pressure: 4.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 37.4±3.0 kJ/mol
Flash Point: 35.6±12.0 °C
Index of Refraction: 1.423
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 933.41
ACD/KOC (pH 5.5): 4651.36
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 933.41
ACD/KOC (pH 7.4): 4651.36
Polar Surface Area: 0 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 20.0±3.0 dyne/cm
Molar Volume: 206.4±3.0 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) =  4.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  149.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -52.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.19  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.138
       log Kow used: 4.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.27099 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.15E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.083E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.96  (KowWin est)
  Log Kaw used:  1.523  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.437
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7815
   Biowin2 (Non-Linear Model)     :   0.9329
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1520  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8912  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4093
   Biowin6 (MITI Non-Linear Model):   0.3625
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1310
 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):  512 Pa (3.84 mm Hg)
  Log Koa (Koawin est  ): 3.437
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.86E-009 
       Octanol/air (Koa) model:  6.71E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.12E-007 
       Mackay model           :  4.69E-007 
       Octanol/air (Koa) model:  5.37E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.7268 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  68.3268 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.114 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.879 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 3.4E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1118
      Log Koc:  3.049 

 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 = 3.119 (BCF = 1314)
       log Kow used: 4.96 (estimated)

 Volatilization from Water:
    Henry LC:  0.815 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.277  hours
    Half-Life from Model Lake :      118.8  hours   (4.949 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.78  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    47.21  percent
    Total to Air:               52.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.97            3.89         1000       
   Water     30.2            360          1000       
   Soil      36.1            720          1000       
   Sediment  31.7            3.24e+003    0          
     Persistence Time: 199 hr

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