ChemSpider 2D Image | Perfluoro-1-heptene | C7F14

Perfluoro-1-heptene

  • Molecular FormulaC7F14
  • Average mass350.052 Da
  • Monoisotopic mass349.977631 Da
  • ChemSpider ID61056

More details:

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

1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluor-1-hepten [German] [ACD/IUPAC Name]
1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluoro-1-heptene [ACD/IUPAC Name]
1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tétradécafluoro-1-heptène [French] [ACD/IUPAC Name]
1,1,2,3,3,4,4,5,5,6,6,7,7,7-Tetradecafluorohept-1-ene
1-Heptene, 1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoro- [ACD/Index Name]
355-63-5 [RN]
Hept-1-ene, perfluoro
Perfluoro-1-heptene
perfluorohept-1-ene
TETRADECAFLUORO-1-HEPTENE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00013577 [DBID]
  • Gas Chromatography

    • Retention Index (Kovats):

      312 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 50 C; CAS no: 355635; 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: 1.6±0.1 g/cm3
Boiling Point: 85.1±8.0 °C at 760 mmHg
Vapour Pressure: 78.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.2±3.0 kJ/mol
Flash Point: 15.5±10.2 °C
Index of Refraction: 1.271
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8157.35
ACD/KOC (pH 5.5): 21952.17
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8157.35
ACD/KOC (pH 7.4): 21952.17
Polar Surface Area: 0 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 12.1±3.0 dyne/cm
Molar Volume: 213.8±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) =  5.99

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  72.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -94.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  92.8  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  81 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.04773
       log Kow used: 5.99 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0079475 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.07E+003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.955E+002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.99  (KowWin est)
  Log Kaw used:  5.221  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.769
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.6752
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.0642  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.4545  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1845
   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):  1.2E+004 Pa (89.9 mm Hg)
  Log Koa (Koawin est  ): 0.769
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.5E-010 
       Octanol/air (Koa) model:  1.44E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.04E-009 
       Mackay model           :  2E-008 
       Octanol/air (Koa) model:  1.15E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.7742 E-12 cm3/molecule-sec
      Half-Life =    13.815 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.011200 E-17 cm3/molecule-sec
      Half-Life =   102.321 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 1.45E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.144E+005
      Log Koc:  5.331 

 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 = 3.910 (BCF = 8130)
       log Kow used: 5.99 (estimated)

 Volatilization from Water:
    Henry LC:  4.07E+003 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.909  hours
    Half-Life from Model Lake :      177.7  hours   (7.405 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    58.39  percent
    Total to Air:               41.44  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.25            292          1000       
   Water     3.01            4.32e+003    1000       
   Soil      0.0302          8.64e+003    1000       
   Sediment  94.7            3.89e+004    0          
     Persistence Time: 2.86e+003 hr

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