ChemSpider 2D Image | Meforex 218 | C3F8

Meforex 218

  • Molecular FormulaC3F8
  • Average mass188.019 Da
  • Monoisotopic mass187.987228 Da
  • ChemSpider ID6192

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Featured data source



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

2,2-Dihydroperfluoropropane
200-941-9 [EINECS]
76-19-7 [RN]
Meforex 218
Octafluoropropane [ACD/IUPAC Name]
Octafluoropropane [French] [ACD/IUPAC Name]
Octafluorpropan [German] [ACD/IUPAC Name]
Propane, 1,1,1,2,2,3,3,3-octafluoro- [ACD/Index Name]
Perfluoropropaneminimum
1,1,1,2,2,3,3,3-octafluoropropane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FS 069 [DBID]
MRX 115 [DBID]
D01738 [DBID]
DMP 115 [DBID]
FC 218 [DBID]
Freon 218 [DBID]
HFC 218 [DBID]
MRX-115 [DBID]
PFC 218 [DBID]
R 218 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: -37.9±8.0 °C at 760 mmHg
Vapour Pressure: 6252.9±0.0 mmHg at 25°C
Enthalpy of Vaporization: 20.8±3.0 kJ/mol
Flash Point: -59.5±10.2 °C
Index of Refraction: 1.221
Molar Refractivity: 17.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.57
ACD/KOC (pH 5.5): 896.48
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.57
ACD/KOC (pH 7.4): 896.48
Polar Surface Area: 0 Å2
Polarizability: 6.8±0.5 10-24cm3
Surface Tension: 9.3±3.0 dyne/cm
Molar Volume: 121.8±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) =  3.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -36.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -136.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.34E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -147.6 deg C
    BP  (exp database):  -36.6 deg C
    VP  (exp database):  6.63E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  19.68
       log Kow used: 3.12 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5.7 mg/L (15 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12.721 mg/L
    Wat Sol (Exper. database match) =  5.70
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.27E+002  atm-m3/mole
   Group Method:   2.45E+001  atm-m3/mole
   Exper Database: 3.30E+01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.554E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.12  (KowWin est)
  Log Kaw used:  3.130  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  -0.010
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.5667
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5456  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8742  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3594
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5019
 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):  8.84E+005 Pa (6.63E+003 mm Hg)
  Log Koa (Koawin est  ): -0.010
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.39E-012 
       Octanol/air (Koa) model:  2.4E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.23E-010 
       Mackay model           :  2.71E-010 
       Octanol/air (Koa) model:  1.92E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.97E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1038
      Log Koc:  3.016 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.703 (BCF = 50.49)
       log Kow used: 3.12 (estimated)

 Volatilization from Water:
    Henry LC:  33 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.399  hours
    Half-Life from Model Lake :      130.2  hours   (5.427 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.99  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.20  percent
    Total to Air:               96.77  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       48.4            1e+005       1000       
   Water     49.3            4.32e+003    1000       
   Soil      0.382           8.64e+003    1000       
   Sediment  1.9             3.89e+004    0          
     Persistence Time: 185 hr




                    

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