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Ethane, fluoro-

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Phase change data

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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, Kenneth Kroenlein 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
Pc50.2775barN/ABooth and Swinehart, 1935Uncertainty assigned by TRC = 0.0506 bar; TRC
Pc50.2775barN/AParthasarathy, 1935Uncertainty assigned by TRC = 0.0506 bar; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
20.7236.IKul, DesMarteau, et al., 2001Based on data from 200. - 235. K.; AC
20.2290.AStephenson and Malanowski, 1987Based on data from 275. - 353. K.; AC
20.5265.AStephenson and Malanowski, 1987Based on data from 235. - 280. K.; AC
20.7358.AStephenson and Malanowski, 1987Based on data from 343. - 375. K.; AC
20.8236.EStephenson and Malanowski, 1987Based on data from 173. - 251. K. See also Li and Rossini, 1961 and Dykyj, 1970.; AC
22.0226.N/AStull, 1947Based on data from 156. - 241. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
169.54 - 375.304.34159950.397-16.492Vidaurri, 1975Coefficents calculated by NIST from author's data.
156. - 241.3.72414724.931-46.296Stull, 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

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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+) bullet Ethane, fluoro-)

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

Quantity Value Units Method Reference Comment
Deltar140.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated

Henry's Law data

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.044 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

Gas phase ion energetics data

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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)683.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity655.8kJ/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

Ion clustering data

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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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

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

Quantity Value Units Method Reference Comment
Deltar140.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated

Mass spectrum (electron ionization)

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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

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Mass spectrum
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Additional Data

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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

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Vibrational and/or electronic energy levels

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

Data compiled by: Takehiko Shimanouchi

Symmetry:   Cs     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 CH3 d-str 3003  D 3003 VS gas 2986 VS dp liq. OV(«nu»12,«nu»13)
a' 2 CH2 s-str 2941  D 2941 gas 2941 VS p liq.
a' 3 CH3 s-str 2915  D 2915 S gas 2921 M liq.
a' 4 CH2 scis 1479  C 1479 M gas 1480 W b dp liq.
a' 5 CH3 d-deform 1449  D 1449 S gas 1458 M b dp liq. OV(«nu»14)
a' 6 CH3 s-deform 1395  C 1395 S gas 1393 W p liq.
a' 7 CH2 wag 1365  D 1365 M liq. 1365 VW liq.
a' 8 CH3 rock 1108  C 1108 VS gas 1103 S p liq.
a' 9 CC str 1048  D 1048 VS gas 1041 M b dp liq. OV(«nu»16)
a' 10 CF str 880  B 880 VS gas 873 VS p liq.
a' 11 CCF deform 415  C 415 gas 419 W p liq.
a 12 CH2 a-str 3003  D 3003 VS gas 2986 VS dp liq. OV(«nu»1,«nu»13)
a 13 CH3 d-str 3003  D 3003 VS gas 2986 VS dp liq. OV1,«nu»12
a 14 CH3 d-deform 1449  D 1449 S gas 1458 M b dp liq. OV(«nu»5)
a 15 CH2 twist 1277  C 1277 gas 1276 W b dp liq.
a 16 CH3 rock 1048  D 1048 VS gas 1041 M b dp liq. OV(«nu»9)
a 17 CH2 rock 810  C 810 W gas 815 VW
a 18 Torsion 243  B 243 gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
bBroad
pPolarized
dpDepolarized
OVOverlapped by band indicated in parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, 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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, References