Ethane, fluoro-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil236.0KN/APCR Inc., 1990BS
Tboil235.5KN/AWeast and Grasselli, 1989BS
Tboil303.9KN/AEdgell and Parts, 1955Uncertainty assigned by TRC = 1.5 K; TRC
Tboil235.45KN/AGrosse, 1937Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc375.31KN/ABooth and Swinehart, 1935Uncertainty assigned by TRC = 0.02 K; TRC
Tc375.31KN/AParthasarathy, 1935Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Pc49.6200atmN/ABooth and Swinehart, 1935Uncertainty assigned by TRC = 0.0499 atm; TRC
Pc49.6200atmN/AParthasarathy, 1935Uncertainty assigned by TRC = 0.0499 atm; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.95236.IKul, DesMarteau, et al., 2001Based on data from 200. to 235. K.; AC
4.83290.AStephenson and Malanowski, 1987Based on data from 275. to 353. K.; AC
4.90265.AStephenson and Malanowski, 1987Based on data from 235. to 280. K.; AC
4.95358.AStephenson and Malanowski, 1987Based on data from 343. to 375. K.; AC
4.97236.EStephenson and Malanowski, 1987Based on data from 173. to 251. K. See also Li and Rossini, 1961 and Dykyj, 1970.; AC
5.26226.N/AStull, 1947Based on data from 156. to 241. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
169.54 to 375.304.33588950.397-16.492Vidaurri, 1975Coefficents calculated by NIST from author's data.
156. to 241.3.71843724.931-46.296Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Lithium ion (1+) + Ethane, fluoro- = (Lithium ion (1+) • Ethane, fluoro-)

By formula: Li+ + C2H5F = (Li+ • C2H5F)

Quantity Value Units Method Reference Comment
Δr34.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C2H5F+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)163.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity156.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.78EIBlanchette, Holmes, et al., 1987LBLHLM
12.4PEBieri, Asbrink, et al., 1981Vertical value; LLK
12.43PEHoppilliard and Solgadi, 1980Vertical value; LLK
12.43PESauvageau, Doucet, et al., 1974Vertical value; LLK
12.43PEYamazaki, Katsumata, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4F+12.04 ± 0.03HPIWilliamson, LeBreton, et al., 1976LLK

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 18890

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Edgell and Parts, 1955
Edgell, W.F.; Parts, G.A., Synthesis of Alkyl and Substituted Alkyl Fluorides from p-Toluenesulfonic Acid Esters. The Preparation of p-Toluenesulfonic Acid Esters of Lower Alcohols, J. Am. Chem. Soc., 1955, 77, 4899. [all data]

Grosse, 1937
Grosse, A.V., Refractive Indices at Low Temperatures, J. Am. Chem. Soc., 1937, 59, 2739-41. [all data]

Booth and Swinehart, 1935
Booth, H.S.; Swinehart, C.F., Critical Constants and Vapor Pressure of Some Gaseous Fluorides of Group IV, J. Am. Chem. Soc., 1935, 57, 1337. [all data]

Parthasarathy, 1935
Parthasarathy, S., Determination of the Ultrasonic Velocity in Fifty-Two Organic Liquids, Proc. - Indian Acad. Sci., Sect. A, 1935, 2, 497. [all data]

Kul, DesMarteau, et al., 2001
Kul, Ismail; DesMarteau, Darryl D.; Beyerlein, Adolph L., Vapor--liquid equilibria for CF3OCF2H/fluorinated ethane and CF3SF5/fluorinated ethane mixtures as potential R22 alternatives, Fluid Phase Equilibria, 2001, 185, 1-2, 241-253, https://doi.org/10.1016/S0378-3812(01)00474-5 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Li and Rossini, 1961
Li, J.C.M.; Rossini, F.D., Vapor Pressures and Boiling Points of the l-Fluoroalkanes, l-Chloroalkanes, l-Bromoalkanes, and l-Iodoalkanes, C 1 to C 20 ., J. Chem. Eng. Data, 1961, 6, 2, 268-270, https://doi.org/10.1021/je60010a025 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Vidaurri, 1975
Vidaurri, F.C., Ethyl Fluoride Vapor Pressure, J. Chem. Eng. Data, 1975, 20, 4, 349-350, https://doi.org/10.1021/je60067a005 . [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Blanchette, Holmes, et al., 1987
Blanchette, M.C.; Holmes, J.L.; Lossing, F.P., The ethyl halides: Stable neutral and radical cation isomers [C2, H5, X] where X = F, Cl, Br, I, Org. Mass Spectrom., 1987, 22, 701. [all data]

Bieri, Asbrink, et al., 1981
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4 nm He(II) photoelectron spectra of organic molecules. Part IV. Fluoro-compounds (C,H,F), J. Electron Spectrosc. Relat. Phenom., 1981, 23, 281. [all data]

Hoppilliard and Solgadi, 1980
Hoppilliard, Y.; Solgadi, D., Conformational analysis of 2-haloethanols and 2-methoxyethylhalides in a photoelectron spectrometer, Tetrahedron, 1980, 36, 377. [all data]

Sauvageau, Doucet, et al., 1974
Sauvageau, P.; Doucet, J.; Gilbert, R.; Sandorfy, C., Vacuum ultraviolet and photoelectron spectra of fluoroethanes, J. Chem. Phys., 1974, 61, 391. [all data]

Yamazaki, Katsumata, et al., 1973
Yamazaki, T.; Katsumata, S.; Kimura, K., Photoelectron spectra and orbital assignments by sum rule consideration: ethyl and n-propyl fluorides, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 335. [all data]

Williamson, LeBreton, et al., 1976
Williamson, A.D.; LeBreton, P.R.; Beauchamp, J.L., Photoionization mass spectrometry of 2-fluoropropane and 2,2-difluoropropane. A novel determination of the proton affinity of vinyl fluoride and 1,1-difluoroethylene, J. Am. Chem. Soc., 1976, 98, 2705. [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References