ChemSpider 2D Image | Fluoropropane | C3H7F

Fluoropropane

  • Molecular FormulaC3H7F
  • Average mass62.086 Da
  • Monoisotopic mass62.053177 Da
  • ChemSpider ID9604

More details:






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

1-Fluoropropane [ACD/IUPAC Name]
1-Fluoropropane [French] [ACD/IUPAC Name]
1-Fluorpropan [German] [ACD/IUPAC Name]
Fluoropropane
n-Fluoropropane
n-Propyl fluoride
Propane, 1-fluoro- [ACD/Index Name]
Propyl fluoride
[460-13-9]
430-71-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD01320734 [DBID]

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

Density: 0.7±0.1 g/cm3
Boiling Point: -0.4±3.0 °C at 760 mmHg
Vapour Pressure: 1833.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.9±3.0 kJ/mol
Flash Point: -50.5±10.2 °C
Index of Refraction: 1.310
Molar Refractivity: 16.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 124.39
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 124.39
Polar Surface Area: 0 Å2
Polarizability: 6.4±0.5 10-24cm3
Surface Tension: 13.8±3.0 dyne/cm
Molar Volume: 83.5±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) =  1.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -5.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -132.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.64E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -159 deg C
    BP  (exp database):  2.5 deg C
    VP  (exp database):  2.01E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4344
       log Kow used: 1.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3082.6 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.90E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.429E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.76  (KowWin est)
  Log Kaw used:  0.074  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.686
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7180
   Biowin2 (Non-Linear Model)     :   0.8935
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0620  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7582  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6441
   Biowin6 (MITI Non-Linear Model):   0.0850
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8085
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.68E+005 Pa (2.01E+003 mm Hg)
  Log Koa (Koawin est  ): 1.686
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.12E-011 
       Octanol/air (Koa) model:  1.19E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.04E-010 
       Mackay model           :  8.96E-010 
       Octanol/air (Koa) model:  9.53E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8450 E-12 cm3/molecule-sec
      Half-Life =    12.658 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.5E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  43.79
      Log Koc:  1.641 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.654E-017  L/mol-sec
  Kb Half-Life at pH 8: 6.011E+014  years  
  Kb Half-Life at pH 7: 6.011E+015  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.652 (BCF = 4.484)
       log Kow used: 1.76 (estimated)

 Volatilization from Water:
    Henry LC:  0.029 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       0.82  hours   (49.20 min)
    Half-Life from Model Lake :      75.02  hours   (3.126 days)

 Removal In Wastewater Treatment:
    Total removal:              91.86  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.51  percent
    Total to Air:               91.32  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.5            304          1000       
   Water     47              360          1000       
   Soil      2.35            720          1000       
   Sediment  0.132           3.24e+003    0          
     Persistence Time: 132 hr




                    

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