ChemSpider 2D Image | Pentafluoroethane | C2HF5


  • Molecular FormulaC2HF5
  • Average mass120.021 Da
  • Monoisotopic mass119.999840 Da
  • ChemSpider ID9256

More details:

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

1,1,1,2,2-Pentafluorethan [German] [ACD/IUPAC Name]
1,1,1,2,2-Pentafluoroethane [ACD/IUPAC Name]
1,1,1,2,2-Pentafluoroéthane [French] [ACD/IUPAC Name]
206-557-8 [EINECS]
354-33-6 [RN]
Ethane, 1,1,1,2,2-pentafluoro- [ACD/Index Name]
Pentafluoroethane [Wiki]

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

HFC-125 [DBID]
F 125 [DBID]
FC 125 [DBID]
Fc-125 [DBID]
Fron 125 [DBID]
Hfc 125 [DBID]
HSDB 6755 [DBID]
MFCD00042101 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: -54.9±8.0 °C at 760 mmHg
Vapour Pressure: 10546.3±0.1 mmHg at 25°C
Enthalpy of Vaporization: 19.5±3.0 kJ/mol
Flash Point: -62.3±5.3 °C
Index of Refraction: 1.212
Molar Refractivity: 12.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.49
ACD/KOC (pH 5.5): 132.70
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.49
ACD/KOC (pH 7.4): 132.70
Polar Surface Area: 0 Å2
Polarizability: 4.8±0.5 10-24cm3
Surface Tension: 8.4±3.0 dyne/cm
Molar Volume: 89.2±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) =  1.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -68.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -162.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.12E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -103 deg C
    BP  (exp database):  -48.5 deg C
    VP  (exp database):  1.05E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  867.3
       log Kow used: 1.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  908.49 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.05E+000  atm-m3/mole
   Group Method:   4.88E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.384E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.55  (KowWin est)
  Log Kaw used:  2.096  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.546
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1700
   Biowin2 (Non-Linear Model)     :   0.0126
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4210  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4002  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3913
   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):  1.4E+006 Pa (1.05E+004 mm Hg)
  Log Koa (Koawin est  ): -0.546
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14E-012 
       Octanol/air (Koa) model:  6.98E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.74E-011 
       Mackay model           :  1.71E-010 
       Octanol/air (Koa) model:  5.59E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0012 E-12 cm3/molecule-sec
      Half-Life =  8788.305 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.24E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  154.4
      Log Koc:  2.189 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  6.877E-002  L/mol-sec
  Kb Half-Life at pH 8:     116.649  days   
  Kb Half-Life at pH 7:       3.194  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.491 (BCF = 3.1)
       log Kow used: 1.55 (estimated)

 Volatilization from Water:
    Henry LC:  0.0488 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.131  hours
    Half-Life from Model Lake :      104.2  hours   (4.342 days)

 Removal In Wastewater Treatment:
    Total removal:              94.98  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.41  percent
    Total to Air:               94.55  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       51.7            1.34e+005    1000       
   Water     47.1            900          1000       
   Soil      1.06            1.8e+003     1000       
   Sediment  0.123           8.1e+003     0          
     Persistence Time: 166 hr


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