ChemSpider 2D Image | Dimethyl(pentyl)vinylsilane | C9H20Si

Dimethyl(pentyl)vinylsilane

  • Molecular FormulaC9H20Si
  • Average mass156.341 Da
  • Monoisotopic mass156.133423 Da
  • ChemSpider ID486012

More details:

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

Dimethyl(pentyl)vinylsilan [German] [ACD/IUPAC Name]
Dimethyl(pentyl)vinylsilane [ACD/IUPAC Name]
Diméthyl(pentyl)vinylsilane [French] [ACD/IUPAC Name]
Dimethylvinyl(n-pentyl)silane
Silane, ethenyldimethylpentyl- [ACD/Index Name]
amyldimethylvinylsilane

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

Density: 0.8±0.1 g/cm3
Boiling Point: 176.6±8.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.6±3.0 kJ/mol
Flash Point: 45.8±12.0 °C
Index of Refraction: 1.416
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1239.80
ACD/KOC (pH 5.5): 5699.28
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1239.80
ACD/KOC (pH 7.4): 5699.28
Polar Surface Area: 0 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 19.8±3.0 dyne/cm
Molar Volume: 207.9±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) =  5.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  140.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -53.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.21  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.546
       log Kow used: 5.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.12675 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.91E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.603E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.04  (KowWin est)
  Log Kaw used:  1.451  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.589
      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)    :   0.4645
   Biowin6 (MITI Non-Linear Model):   0.4685
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1630
 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):  761 Pa (5.71 mm Hg)
  Log Koa (Koawin est  ): 3.589
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.94E-009 
       Octanol/air (Koa) model:  9.53E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.42E-007 
       Mackay model           :  3.15E-007 
       Octanol/air (Koa) model:  7.62E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.0051 E-12 cm3/molecule-sec
      Half-Life =     0.334 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.010 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 2.29E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1204
      Log Koc:  3.081 

 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 = 3.179 (BCF = 1510)
       log Kow used: 5.04 (estimated)

 Volatilization from Water:
    Henry LC:  0.691 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:              99.74  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    49.07  percent
    Total to Air:               50.51  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.01            7.63         1000       
   Water     25.5            360          1000       
   Soil      39.7            720          1000       
   Sediment  31.7            3.24e+003    0          
     Persistence Time: 236 hr

Click to predict properties on the Chemicalize site


Advertisement