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Search term: HBZVXKDQRIQMCW-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-hydro-pentadecafluoroheptane | C7HF15

1-hydro-pentadecafluoroheptane

  • Molecular FormulaC7HF15
  • Average mass370.059 Da
  • Monoisotopic mass369.983887 Da
  • ChemSpider ID9395

More details:

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluorheptan [German] [ACD/IUPAC Name]
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoroheptane [ACD/IUPAC Name]
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadécafluoroheptane [French] [ACD/IUPAC Name]
1-hydro-pentadecafluoroheptane
27213-61-2 [RN]
Heptane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro- [ACD/Index Name]
(Perfluorodecyl)ethylene
[27213-61-2] [RN]
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-heptane
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoroheptane, 1H-Pentadecafluoroheptane
More...

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

MFCD00042083 [DBID]
MFCD00042108 [DBID]
MFCD00042306 [DBID]
MFCD00042460 [DBID]
NSC137876 [DBID]
  • Gas Chromatography

    • Retention Index (Kovats):

      344 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 50 C; CAS no: 27213612; 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: 96.5±0.0 °C at 760 mmHg
Vapour Pressure: 49.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 32.2±3.0 kJ/mol
Flash Point: 23.3±10.2 °C
Index of Refraction: 1.257
Molar Refractivity: 36.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6427.54
ACD/KOC (pH 5.5): 18509.29
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6427.54
ACD/KOC (pH 7.4): 18509.29
Polar Surface Area: 0 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 12.0±3.0 dyne/cm
Molar Volume: 226.5±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) =  6.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  73.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -83.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  50.8  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  96 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.003032
       log Kow used: 6.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00040657 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.22E+004  atm-m3/mole
   Group Method:   4.88E+003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  8.158E+003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.38  (KowWin est)
  Log Kaw used:  5.698  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.682
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.8687
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.8078  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.2722  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1593
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0009
 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):  6.48E+003 Pa (48.6 mm Hg)
  Log Koa (Koawin est  ): 0.682
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.63E-010 
       Octanol/air (Koa) model:  1.18E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.67E-008 
       Mackay model           :  3.7E-008 
       Octanol/air (Koa) model:  9.44E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0003 E-12 cm3/molecule-sec
      Half-Life = 34664.981 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.69E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.249E+005
      Log Koc:  5.512 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  7.814E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.811  years  
  Kb Half-Life at pH 7:      28.108  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 4.211 (BCF = 1.625e+004)
       log Kow used: 6.38 (estimated)

 Volatilization from Water:
    Henry LC:  4.88E+003 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.963  hours
    Half-Life from Model Lake :      182.7  hours   (7.613 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    59.27  percent
    Total to Air:               40.55  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.75            8.32e+005    1000       
   Water     1.96            4.32e+003    1000       
   Soil      0.025           8.64e+003    1000       
   Sediment  96.3            3.89e+004    0          
     Persistence Time: 4.27e+003 hr

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