Ethane, iodo-

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Gas phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-7.2 ± 0.8kJ/molCcbCarson, Laye, et al., 1994 
Δfgas-8.4kJ/molCmKudchadker and Kudchadker, 1979 
Δfgas-8.8 ± 0.8kJ/molChydAshcroft, Carson, et al., 1965 
Δfgas-5.4kJ/molCcbSpringall and White, 1949 

Condensed phase 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-39.1 ± 0.8kJ/molCcbCarson, Laye, et al., 1994ALS
Δfliquid-39.5 ± 1.7kJ/molChydAshcroft, Carson, et al., 1965Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -40. ± 0.8 kJ/mol; ALS
Δfliquid-35.kJ/molCcbSpringall and White, 1949ALS
Quantity Value Units Method Reference Comment
Δcliquid-1462.5 ± 0.4kJ/molCcbCarson, Laye, et al., 1994ALS
Δcliquid-1466. ± 2.kJ/molCcbSpringall and White, 1949ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
109.7298.15Shehatta, 1993DH
115.1298.Kurbatov, 1948T = -37 to 70°C; mean Cp, three temperatures.; DH

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, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil345.5 ± 0.9KAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus162.05KN/ATimmermans and Martin, 1928Uncertainty assigned by TRC = 0.4 K; TRC
Tfus162.3KN/ATimmermans, 1911Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Δvap32.05kJ/molN/AMajer and Svoboda, 1985 
Δvap31.7kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 313. to 353. K.; AC
Δvap31.9 ± 0.1kJ/molCWadsö, Luoma, et al., 1968AC
Δvap31.93 ± 0.02kJ/molCWadso, 1968ALS
Δvap29.8 ± 0.3kJ/molVMathews, 1926ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
29.44345.6N/AMajer and Svoboda, 1985 
33.6264.EStephenson and Malanowski, 1987Based on data from 249. to 369. K. See also Li and Rossini, 1961.; AC
34.7234.N/AStull, 1947Based on data from 219. to 345. K.; AC
32.278.N/AMilazzo, 1944Based on data from 254. to 293. K.; AC
31.7318.N/ASmyth and Engel, 1929Based on data from 303. to 333. 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
218.8 to 345.64.085111247.135-39.612Stull, 1947Coefficents calculated by NIST from author's data.
303. to 333.4.013261192.892-48.095Smyth and Engel, 1929Coefficents 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Hydrogen + 2Ethane, iodo- = 2Ethane + Iodine

By formula: H2 + 2C2H5I = 2C2H6 + I2

Quantity Value Units Method Reference Comment
Δr-88.7 ± 3.3kJ/molChydAshcroft, Carson, et al., 1965liquid phase

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
0.18 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 293. K.
0.14 VN/A 

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
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)9.349 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)724.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity698.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.3492 ± 0.0006TEKnoblauch, Strobel, et al., 1995LL
9.33ESTLuo and Pacey, 1992LL
9.33PECarlson, Gerard, et al., 1988LL
9.3PEOhno, Imai, et al., 1983LBLHLM
9.35PEKimura, Katsumata, et al., 1981LLK
9.346 ± 0.005EQLias and Ausloos, 1978LLK
9.35 ± 0.02PEBoschi and Salahub, 1974LLK
9.346SBoschi and Salahub, 1972LLK
9.35PEBrogli and Heilbronner, 1971LLK
9.37PEBaker, Betteridge, et al., 1971LLK
9.37PEBaker, Betteridge, et al., 1971LLK
9.35 ± 0.02EIMelton and Hamill, 1964RDSH
9.33 ± 0.01PIWatanabe, 1957RDSH
9.346 ± 0.005SPrice, 1936RDSH
9.35PECarlson, Gerard, et al., 1988Vertical value; LL
9.33PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
9.34PEHoppilliard and Solgadi, 1980Vertical value; LLK
9.6PEDromey and Peel, 1974Vertical value; LLK
9.45 ± 0.02PELeavell, Steichen, et al., 1973Vertical value; LLK
9.34PEKimura, Katsumata, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2I+13.7 ± 0.3CH3EIIrsa, 1957RDSH
CH3+16.3 ± 0.3?EIIrsa, 1957RDSH
C2H5+10.44IPITraeger and McLoughlin, 1981LLK
C2H5+10.49IPIPECOBaer, 1980LLK
C2H5+11.0 ± 0.3IEIIrsa, 1957RDSH
HI+11.7 ± 0.1?EIIrsa, 1957RDSH
I+14.8 ± 0.2?EIIrsa, 1957RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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

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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.
Origin NIST Mass Spectrometry Data Center, 1994
NIST MS number 133586

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, 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.

Carson, Laye, et al., 1994
Carson, A.S.; Laye, P.G.; Pedley, J.B.; Welsby, A.M.; Chickos, J.S.; Hosseini, S., The enthalpies of formation of iodoethane, 1,2-diiodoethane, 1,3-diiodopropane, and 1,4-diiodobutane, J. Chem. Thermodyn., 1994, 26, 1103-1109. [all data]

Kudchadker and Kudchadker, 1979
Kudchadker, S.A.; Kudchadker, A.P., Ideal gas thermodynamic properties of selected bromoethanes and iodoethane, J. Phys. Chem. Ref. Data, 1979, 8, 519-526. [all data]

Ashcroft, Carson, et al., 1965
Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G., Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide, Trans. Faraday Soc., 1965, 61, 225-229. [all data]

Springall and White, 1949
Springall, H.D.; White, T.R., The heat of combustion of ethyl iodide, Res. Corresp., 1949, 2, 296. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Timmermans and Martin, 1928
Timmermans, J.; Martin, F., Study of the Physical Constants of Twenty Organic Compounds of the Physical Constants of Twenty Organic Compounds, J. Chim. Phys. Phys.-Chim. Biol., 1928, 25, 411. [all data]

Timmermans, 1911
Timmermans, J., Researches on the freezing point of organic liquid compounds, Bull. Soc. Chim. Belg., 1911, 25, 300. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Wadsö, Luoma, et al., 1968
Wadsö, Ingemar; Luoma, Sinikka; Olson, Thomas; Norin, Torbjörn, Heats of Vaporization of Organic Compounds. II. Chlorides, Bromides, and Iodides., Acta Chem. Scand., 1968, 22, 2438-2444, https://doi.org/10.3891/acta.chem.scand.22-2438 . [all data]

Wadso, 1968
Wadso, I., Heats of vaporization of organic compounds II. Chlorides, bromides, and iodides, Acta Chem. Scand., 1968, 22, 2438. [all data]

Mathews, 1926
Mathews, J.H., The accurate measurement of heats of vaporization of liquids, J. Am. Chem. Soc., 1926, 48, 562-576. [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]

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]

Milazzo, 1944
Milazzo, G., Gazz. Chim. Ital., 1944, 74, 49. [all data]

Smyth and Engel, 1929
Smyth, C.P.; Engel, E.W., MOLECULAR ORIENTATION AND THE PARTIAL VAPOR PRESSURES OF BINARY MIXTURES. I. SYSTEMS COMPOSED OF NORMAL LIQUIDS, J. Am. Chem. Soc., 1929, 51, 9, 2646-2660, https://doi.org/10.1021/ja01384a006 . [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]

Knoblauch, Strobel, et al., 1995
Knoblauch, N.; Strobel, A.; Fischer, I.; Bondybey, V.E., Two-photon ionization and dissociation of ethyl iodide, J. Chem. Phys., 1995, 103, 5417. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Carlson, Gerard, et al., 1988
Carlson, T.A.; Gerard, P.; Pullen, B.P.; Grimm, F.A., Autoionization from the ione-pair orbitals of molecules containing iodine, J. Chem. Phys., 1988, 89, 1464. [all data]

Ohno, Imai, et al., 1983
Ohno, K.; Imai, K.; Matsumoto, S.; Harada, Y., Penning ionization electron spectroscopy of C2H5X (X = NH2, OH, H, Cl, I) relative reactivity of orbital localizing on functional groups upon electrophilic attack by metastable helium atoms, J. Phys. Chem., 1983, 87, 4346. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J., eIonization energies of organic compounds by equilibrium measurements, J. Am. Chem. Soc., 1978, 100, 6027. [all data]

Boschi and Salahub, 1974
Boschi, R.A.A.; Salahub, D.R., The high resolution photoelectron spectra of some iodoalkanes, iodocycloalkanes, iodoalkenes, and fluoroiodohydrocarbons, Can. J. Chem., 1974, 52, 1217. [all data]

Boschi and Salahub, 1972
Boschi, R.A.; Salahub, D.R., The far ultra-violet spectra of some 1-iodoalkanes, Mol. Phys., 1972, 24, 289. [all data]

Brogli and Heilbronner, 1971
Brogli, F.; Heilbronner, E., The competition between spin orbit coupling and conjugation in alkyl halides and its repercussion on their photoelectron spectra, Helv. Chim. Acta, 1971, 54, 1423. [all data]

Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Melton and Hamill, 1964
Melton, C.E.; Hamill, W.H., Appearance potentials by the retarding potential-difference method for secondary ions produced by excited-neutral, excited ion-neutral, and ion-neutral reactions, J. Chem. Phys., 1964, 41, 1469. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Price, 1936
Price, W.C., The far ultraviolet absorption spectra and ionization potentials of the alkyl halides. Part II, J. Chem. Phys., 1936, 4, 547. [all data]

Utsunomiya, Kobayashi, et al., 1980
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron angular distribution measurements for some aliphatic alcohols, amines, halides, Bull. Chem. Soc. Jpn., 1980, 53, 1216. [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]

Dromey and Peel, 1974
Dromey, R.G.; Peel, J.B., Photoelectron spectroscopic correlation of the molecular orbitals of the alkanes and alkyl iodides, J. Mol. Struct., 1974, 23, 53. [all data]

Leavell, Steichen, et al., 1973
Leavell, S.; Steichen, J.; Franklin, J.L., Photoelectron spectra of intramolecularly hydrogen bonded compounds, J. Chem. Phys., 1973, 59, 4343. [all data]

Kimura, Katsumata, et al., 1973
Kimura, K.; Katsumata, S.; Achiba, Y.; Matsumoto, H.; Nagakura, S., Photoelectron spectra and orbital structures of higher alkyl chlorides, bromides, and iodides., Bull. Chem. Soc. Jpn., 1973, 46, 373. [all data]

Irsa, 1957
Irsa, A.P., Electron impact studies on C2H5Cl, C2H5Br, and C2H5I, J. Chem. Phys., 1957, 26, 18. [all data]

Traeger and McLoughlin, 1981
Traeger, J.C.; McLoughlin, R.G., Absolute heats of formation for gas phase cations, J. Am. Chem. Soc., 1981, 103, 3647. [all data]

Baer, 1980
Baer, T., Gas phase heats of formation of C2H5+ and C3H7+, J. Am. Chem. Soc., 1980, 102, 2482. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References