ChemSpider 2D Image | Pentafluorocyclopropane | C3HF5

Pentafluorocyclopropane

  • Molecular FormulaC3HF5
  • Average mass132.032 Da
  • Monoisotopic mass131.999847 Da
  • ChemSpider ID10328054

More details:

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

1,1,2,2,3-Pentafluorocyclopropane
872-58-2 [RN]
Cyclopropane, pentafluoro- [ACD/Index Name]
Pentafluorcyclopropan [German] [ACD/IUPAC Name]
Pentafluorocyclopropane [ACD/IUPAC Name]
Pentafluorocyclopropane [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: -23.9±35.0 °C at 760 mmHg
Vapour Pressure: 3999.4±0.0 mmHg at 25°C
Enthalpy of Vaporization: 21.9±3.0 kJ/mol
Flash Point: -43.3±12.8 °C
Index of Refraction: 1.264
Molar Refractivity: 14.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 60.72
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 60.72
Polar Surface Area: 0 Å2
Polarizability: 5.7±0.5 10-24cm3
Surface Tension: 10.4±5.0 dyne/cm
Molar Volume: 87.3±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) =  1.62

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -35.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -111.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.16E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  676.7
       log Kow used: 1.62 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  88.737 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.78E+000  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.951E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.62  (KowWin est)
  Log Kaw used:  1.862  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.242
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3168
   Biowin2 (Non-Linear Model)     :   0.0901
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4832  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3504  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5539
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2071
 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):  6.07E+005 Pa (4.55E+003 mm Hg)
  Log Koa (Koawin est  ): -0.242
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.95E-012 
       Octanol/air (Koa) model:  1.41E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.79E-010 
       Mackay model           :  3.96E-010 
       Octanol/air (Koa) model:  1.12E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0001 E-12 cm3/molecule-sec
      Half-Life =132459.692 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.87E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  271.6
      Log Koc:  2.434 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.085E-015  L/mol-sec
  Kb Half-Life at pH 8: 4.319E+012  years  
  Kb Half-Life at pH 7: 4.319E+013  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.547 (BCF = 3.524)
       log Kow used: 1.62 (estimated)

 Volatilization from Water:
    Henry LC:  1.78 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.173  hours
    Half-Life from Model Lake :      109.1  hours   (4.548 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.85  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.35  percent
    Total to Air:               99.49  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       52.2            3.18e+006    1000       
   Water     47.3            900          1000       
   Soil      0.427           1.8e+003     1000       
   Sediment  0.129           8.1e+003     0          
     Persistence Time: 165 hr

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