ChemSpider 2D Image | 5-Hexen-1-ylsilane | C6H14Si

5-Hexen-1-ylsilane

  • Molecular FormulaC6H14Si
  • Average mass114.261 Da
  • Monoisotopic mass114.086479 Da
  • ChemSpider ID13582505

More details:

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

5-Hexen-1-ylsilan [German] [ACD/IUPAC Name]
5-Hexen-1-ylsilane [ACD/IUPAC Name]
5-Hexén-1-ylsilane [French] [ACD/IUPAC Name]
Silane, 5-hexen-1-yl- [ACD/Index Name]
(Hex-5-en-1-yl)silane
120287-17-4 [RN]
HEX-5-EN-1-YLSILANE
n-5-hexenylsilane

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

Density:
Boiling Point: 121.0±19.0 °C at 760 mmHg
Vapour Pressure: 17.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.4±3.0 kJ/mol
Flash Point: 27.0±21.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  98.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -85.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  40.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  132.5
       log Kow used: 3.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.85225 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.60E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.584E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.40  (KowWin est)
  Log Kaw used:  1.027  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.373
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6931
   Biowin2 (Non-Linear Model)     :   0.8000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9467  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6829  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5884
   Biowin6 (MITI Non-Linear Model):   0.7370
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7195
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.12E+003 Pa (38.4 mm Hg)
  Log Koa (Koawin est  ): 2.373
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.86E-010 
       Octanol/air (Koa) model:  5.79E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.12E-008 
       Mackay model           :  4.69E-008 
       Octanol/air (Koa) model:  4.64E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.5386 E-12 cm3/molecule-sec
      Half-Life =     0.339 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.070 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi): 3.4E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  274.7
      Log Koc:  2.439 

 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 = 1.915 (BCF = 82.18)
       log Kow used: 3.40 (estimated)

 Volatilization from Water:
    Henry LC:  0.26 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.093  hours
    Half-Life from Model Lake :      101.6  hours   (4.231 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.05  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     5.69  percent
    Total to Air:               93.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.25            6.01         1000       
   Water     78.3            360          1000       
   Soil      10.6            720          1000       
   Sediment  2.84            3.24e+003    0          
     Persistence Time: 78.5 hr

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