Fluoroethane C2H5F structure

Flashcard maker : Darryl Wooten

Molecular Formula C2H5F
Average mass 48.060 Da
Density 0.7±0.1 g/cm3
Boiling Point -36.5±3.0 °C at 760 mmHg
Flash Point -76.2±10.2 °C
Molar Refractivity 11.5±0.3 cm3
Polarizability 4.6±0.5 10-24cm3
Surface Tension 10.7±3.0 dyne/cm
Molar Volume 67.0±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -143.2 °C SynQuest
      -143.2 °C Jean-Claude Bradley Open Melting Point Dataset 19952
      -143.2 °C SynQuest 12949, 1100-3-04
    • Experimental Boiling Point:

      -37.1 °C SynQuest 12949, 1100-3-04
    • Experimental Vapor Pressure:

      116 mmHg SynQuest
      116 °C SynQuest 12949
      116 mmHg SynQuest 12949, 1100-3-04
    • Experimental Gravity:

      -37 g/mL SynQuest 1100-3-04
      0.8176 g/mL SynQuest 1100-3-04
    • Experimental Refraction Index:

      1.3057 SynQuest 12949, 1100-3-04
  • Miscellaneous
    • Safety:

      Extremely Flammable SynQuest 1100-3-04, 12949
  • Gas Chromatography
    • Retention Index (Kovats):

      193 (estimated with error: 34) NIST Spectra mainlib_18890, replib_83

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

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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