ChemSpider 2D Image | heptafluoropropane | C3HF7

heptafluoropropane

  • Molecular FormulaC3HF7
  • Average mass170.029 Da
  • Monoisotopic mass169.996643 Da
  • ChemSpider ID61257

More details:

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

1,1,1,2,3,3,3-Heptafluoropropane [ACD/IUPAC Name]
1,1,1,2,3,3,3-Heptafluoropropane [French] [ACD/IUPAC Name]
1,1,1,2,3,3,3-Heptafluorpropan [German] [ACD/IUPAC Name]
207-079-2 [EINECS]
2-Hydroheptafluoropropane
2-HYDROPERFLUOROPROPANE
431-89-0 [RN]
apaflurane [French] [INN]
Apaflurane [BAN] [INN]
apaflurano [Spanish] [INN]
More...

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

7386 [DBID]
CCRIS 7786 [DBID]
FM 2000 [DBID]
MFCD00043834 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      colourless gas OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable. Incompatible with strong oxidizing agents, alkali metals OU Chemical Safety Data (No longer updated) More details
      Stable. Not combustible. Incompatible with powdered metals, strong alkalies. OU Chemical Safety Data (No longer updated) More details

    • Safety:

      Adequate ventilation. OU Chemical Safety Data (No longer updated) More details
      If used in the form of a cryogenic liquid, avoid contact. Do not work in areasin which the concentration of the chemical in the air might rise to high levels. OU Chemical Safety Data (No longer updated) More details

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

Density: 1.5±0.1 g/cm3
Boiling Point: -19.0±8.0 °C at 760 mmHg
Vapour Pressure: 3402.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 22.4±3.0 kJ/mol
Flash Point: -50.1±10.2 °C
Index of Refraction: 1.229
Molar Refractivity: 17.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 25.12
ACD/KOC (pH 5.5): 349.75
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.12
ACD/KOC (pH 7.4): 349.75
Polar Surface Area: 0 Å2
Polarizability: 6.7±0.5 10-24cm3
Surface Tension: 9.7±3.0 dyne/cm
Molar Volume: 116.7±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) =  2.51

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -62.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -152.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.08E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -127.1 deg C
    BP  (exp database):  -17.3 deg C
    VP  (exp database):  3.41E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  79.5
       log Kow used: 2.51 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  55.201 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.60E+001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.139E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.51  (KowWin est)
  Log Kaw used:  2.816  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.306
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3742
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7975  (months      )
   Biowin4 (Primary Survey Model) :   3.0536  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2773
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6702
 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):  4.55E+005 Pa (3.41E+003 mm Hg)
  Log Koa (Koawin est  ): -0.306
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.6E-012 
       Octanol/air (Koa) model:  1.21E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.38E-010 
       Mackay model           :  5.28E-010 
       Octanol/air (Koa) model:  9.71E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0009 E-12 cm3/molecule-sec
      Half-Life = 11635.220 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.83E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  680.2
      Log Koc:  2.833 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  8.328E-004  L/mol-sec
  Kb Half-Life at pH 8:      26.372  years  
  Kb Half-Life at pH 7:     263.720  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.235 (BCF = 17.19)
       log Kow used: 2.51 (estimated)

 Volatilization from Water:
    Henry LC:  16 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.331  hours
    Half-Life from Model Lake :      123.9  hours   (5.161 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.98  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.00  percent
    Total to Air:               98.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.7            1.58e+005    1000       
   Water     48.5            1.44e+003    1000       
   Soil      0.4             2.88e+003    1000       
   Sediment  0.424           1.3e+004     0          
     Persistence Time: 173 hr

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