ChemSpider 2D Image | Fluoroethane | C2H5F

Fluoroethane

  • Molecular FormulaC2H5F
  • Average mass48.060 Da
  • Monoisotopic mass48.037529 Da
  • ChemSpider ID9243

More details:






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

206-531-6 [EINECS]
353-36-6 [RN]
Ethane, fluoro- [ACD/Index Name]
Ethyl fluoride
FCH2CH2 [Formula]
Fluorethan [German] [ACD/IUPAC Name]
Fluoroethane [ACD/IUPAC Name]
Fluoroéthane [French] [ACD/IUPAC Name]
Monofluoroethane
1-Fluoroethane
More...

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

F 161 [DBID]
XO7SPI984C [DBID]
BRN 1730748 [DBID]
HFC 161 [DBID]
KI3650000 [DBID]
R 161 [DBID]
UN 2453 [DBID]
UN2453 [DBID]
UNII:XO7SPI984C [DBID]
UNII-XO7SPI984C [DBID]

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

Density: 0.7±0.1 g/cm3
Boiling Point: -36.5±3.0 °C at 760 mmHg
Vapour Pressure: 5968.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 20.9±3.0 kJ/mol
Flash Point: -76.2±10.2 °C
Index of Refraction: 1.273
Molar Refractivity: 11.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 89.79
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.76
ACD/KOC (pH 7.4): 89.79
Polar Surface Area: 0 Å2
Polarizability: 4.6±0.5 10-24cm3
Surface Tension: 10.7±3.0 dyne/cm
Molar Volume: 67.0±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) =  1.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -33.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -146.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.48E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -143.2 deg C
    BP  (exp database):  -37.6 deg C
    VP  (exp database):  6.84E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.117e+004
       log Kow used: 1.26 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2160 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL (1975)   @ 1 atm

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8217.1 mg/L
    Wat Sol (Exper. database match) =  2160.00
       Exper. Ref:  HORVATH,AL (1975)   @ 1 atm

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.18E-002  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 2.23E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.303E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.26  (KowWin est)
  Log Kaw used:  -0.040  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.300
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7247
   Biowin2 (Non-Linear Model)     :   0.9110
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0930  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7784  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6364
   Biowin6 (MITI Non-Linear Model):   0.0831
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7825
 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):  9.12E+005 Pa (6.84E+003 mm Hg)
  Log Koa (Koawin est  ): 1.300
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.29E-012 
       Octanol/air (Koa) model:  4.9E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.19E-010 
       Mackay model           :  2.63E-010 
       Octanol/air (Koa) model:  3.92E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1708 E-12 cm3/molecule-sec
      Half-Life =    62.639 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.91E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.370E-015  L/mol-sec
  Kb Half-Life at pH 8: 1.603E+013  years  
  Kb Half-Life at pH 7: 1.603E+014  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.274 (BCF = 1.877)
       log Kow used: 1.26 (estimated)

 Volatilization from Water:
    Henry LC:  0.0223 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.7256  hours   (43.54 min)
    Half-Life from Model Lake :      66.05  hours   (2.752 days)

 Removal In Wastewater Treatment:
    Total removal:              89.68  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.45  percent
    Total to Air:               89.20  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       54.3            1.11e+003    1000       
   Water     43.9            360          1000       
   Soil      1.71            720          1000       
   Sediment  0.0941          3.24e+003    0          
     Persistence Time: 141 hr




                    

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