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ChemSpider 2D Image | Decafluorocyclohexene | C6F10

Decafluorocyclohexene

  • Molecular FormulaC6F10
  • Average mass262.048 Da
  • Monoisotopic mass261.984039 Da
  • ChemSpider ID61057

More details:

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

1,2,3,3,4,4,5,5,6,6-decafluorocyclohexene
355-75-9 [RN]
Cyclohexene, 1,2,3,3,4,4,5,5,6,6-decafluoro- [ACD/Index Name]
Decafluorcyclohexen [German] [ACD/IUPAC Name]
DECAFLUOROCYCLOHEX-1-ENE
Decafluorocyclohexene [ACD/IUPAC Name]
Décafluorocyclohexène [French] [ACD/IUPAC Name]
1,2,3,3,4,4,5,5,6,6-decafluorocyclohex-1-ene
206-592-9 [EINECS]
4-05-00-00229 [Beilstein]
More...

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

BRN 2057344 [DBID]
MFCD00037153 [DBID]
NSC 93779 [DBID]
NSC93779 [DBID]
  • Experimental Physico-chemical Properties
  • Gas Chromatography

    • Retention Index (Kovats):

      316 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 50 C; CAS no: 355759; Active phase: Squalane; Data type: Kovats RI; Authors: Muller, U.; Dietrich, P.; Prescher, D., Gaschromatographische Untersuchungen an Perfluor-Carbonverbindungen. II. Zur Gaschromatographischen Trennung von Gemischen Langerkettiger Perfluoralkane und Perfluoralkene, J. Chromatogr., 259, 1983, 243-254.) NIST Spectra nist ri

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

Density: 1.7±0.1 g/cm3
Boiling Point: 65.4±40.0 °C at 760 mmHg
Vapour Pressure: 170.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.5±3.0 kJ/mol
Flash Point: -0.7±19.1 °C
Index of Refraction: 1.292
Molar Refractivity: 28.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 814.04
ACD/KOC (pH 5.5): 4217.36
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 814.04
ACD/KOC (pH 7.4): 4217.36
Polar Surface Area: 0 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 13.1±5.0 dyne/cm
Molar Volume: 156.2±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) =  3.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  57.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -37.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  284  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  52 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  39.79
       log Kow used: 3.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.227 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.06E+002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.461E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.17  (KowWin est)
  Log Kaw used:  3.637  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.467
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1129
   Biowin2 (Non-Linear Model)     :   0.0005
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7716  (months      )
   Biowin4 (Primary Survey Model) :   2.8559  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3768
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5008
 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):  3.76E+004 Pa (282 mm Hg)
  Log Koa (Koawin est  ): -0.467
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.98E-011 
       Octanol/air (Koa) model:  8.38E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.88E-009 
       Mackay model           :  6.38E-009 
       Octanol/air (Koa) model:  6.7E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.8019 E-12 cm3/molecule-sec
      Half-Life =     3.817 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    45.808 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.028000 E-17 cm3/molecule-sec
      Half-Life =    40.929 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 4.63E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.767E+004
      Log Koc:  4.247 

 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 = 1.741 (BCF = 55.03)
       log Kow used: 3.17 (estimated)

 Volatilization from Water:
    Henry LC:  106 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.652  hours
    Half-Life from Model Lake :      153.8  hours   (6.407 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.54  percent
    Total to Air:               96.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       35.4            83.8         1000       
   Water     61.8            1.44e+003    1000       
   Soil      0.504           2.88e+003    1000       
   Sediment  2.33            1.3e+004     0          
     Persistence Time: 135 hr

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