ChemSpider 2D Image | HFC 236fa | C3H2F6

HFC 236fa

  • Molecular FormulaC3H2F6
  • Average mass152.038 Da
  • Monoisotopic mass152.006073 Da
  • ChemSpider ID12199

More details:

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

1,1,1,3,3,3-Hexafluoropropane [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoropropane [French] [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluorpropan [German] [ACD/IUPAC Name]
2H,2H-Perfluoropropane
690-39-1 [RN]
FXFF1XFFF [WLN]
HFC 236fa
HFC-236fa
Propane, 1,1,1,3,3,3-hexafluoro- [ACD/Index Name]
1,1,1,3,3,3-Hexafluoropropane|2H,2H-Hexafluoropropane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FE 36 [DBID]
MFCD00069116 [DBID] [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: -12.8±8.0 °C at 760 mmHg
Vapour Pressure: 2782.8±0.0 mmHg at 25°C
Enthalpy of Vaporization: 22.9±3.0 kJ/mol
Flash Point: -30.8±10.4 °C
Index of Refraction: 1.240
Molar Refractivity: 16.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.40
ACD/KOC (pH 5.5): 198.66
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.40
ACD/KOC (pH 7.4): 198.66
Polar Surface Area: 0 Å2
Polarizability: 6.7±0.5 10-24cm3
Surface Tension: 10.3±3.0 dyne/cm
Molar Volume: 110.8±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) =  2.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -47.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -141.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.85E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -94.2 deg C
    BP  (exp database):  -1.1 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  74.02
       log Kow used: 2.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  69.643 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.05E+000  atm-m3/mole
   Group Method:   3.46E+000  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.054E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.65  (KowWin est)
  Log Kaw used:  2.517  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.133
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3657
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8373  (months      )
   Biowin4 (Primary Survey Model) :   3.0796  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4135
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8621
 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):  2.43E+005 Pa (1.82E+003 mm Hg)
  Log Koa (Koawin est  ): 0.133
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.24E-011 
       Octanol/air (Koa) model:  3.33E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.47E-010 
       Mackay model           :  9.89E-010 
       Octanol/air (Koa) model:  2.67E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0047 E-12 cm3/molecule-sec
      Half-Life =  2271.733 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.18E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  393.3
      Log Koc:  2.595 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.205E-009  L/mol-sec
  Kb Half-Life at pH 8: 6.853E+006  years  
  Kb Half-Life at pH 7: 6.853E+007  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.337 (BCF = 21.75)
       log Kow used: 2.65 (estimated)

 Volatilization from Water:
    Henry LC:  3.46 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.258  hours
    Half-Life from Model Lake :      117.1  hours   (4.88 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.93  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.28  percent
    Total to Air:               98.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.6            2.85e+005    1000       
   Water     48.4            1.44e+003    1000       
   Soil      0.453           2.88e+003    1000       
   Sediment  0.557           1.3e+004     0          
     Persistence Time: 173 hr

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