Ethane, iodo-

Formula: C₂H₅I
Molecular weight: 155.9656
IUPAC Standard InChI: InChI=1S/C2H5I/c1-2-3/h2H2,1H3
IUPAC Standard InChIKey: HVTICUPFWKNHNG-UHFFFAOYSA-N
CAS Registry Number: 75-03-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Ethyl iodide; Hydriodic ether; Iodoethane; Monoiodoethane; C2H5I; Ethyljodid; Jodethan; 1-Iodoethane; NSC 8825
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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.

Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References, Notes

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference
Δ_fH°_gas	-1.7 ± 0.2	kcal/mol	Ccb	Carson, Laye, et al., 1994
Δ_fH°_gas	-2.0	kcal/mol	Cm	Kudchadker and Kudchadker, 1979
Δ_fH°_gas	-2.1 ± 0.2	kcal/mol	Chyd	Ashcroft, Carson, et al., 1965
Δ_fH°_gas	-1.3	kcal/mol	Ccb	Springall and White, 1949

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, References, Notes

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

+ 2 Ethane, iodo- = 2 +

By formula: H₂ + 2C₂H₅I = 2C₂H₆ + I₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-21.2 ± 0.80	kcal/mol	Chyd	Ashcroft, Carson, et al., 1965	liquid phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, References, Notes

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 ± 0.001	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	173.2	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	166.9	kcal/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.3492 ± 0.0006	TE	Knoblauch, Strobel, et al., 1995	LL
9.33	EST	Luo and Pacey, 1992	LL
9.33	PE	Carlson, Gerard, et al., 1988	LL
9.3	PE	Ohno, Imai, et al., 1983	LBLHLM
9.35	PE	Kimura, Katsumata, et al., 1981	LLK
9.346 ± 0.005	EQ	Lias and Ausloos, 1978	LLK
9.35 ± 0.02	PE	Boschi and Salahub, 1974	LLK
9.346	S	Boschi and Salahub, 1972	LLK
9.35	PE	Brogli and Heilbronner, 1971	LLK
9.37	PE	Baker, Betteridge, et al., 1971	LLK
9.37	PE	Baker, Betteridge, et al., 1971	LLK
9.35 ± 0.02	EI	Melton and Hamill, 1964	RDSH
9.33 ± 0.01	PI	Watanabe, 1957	RDSH
9.346 ± 0.005	S	Price, 1936	RDSH
9.35	PE	Carlson, Gerard, et al., 1988	Vertical value; LL
9.33	PE	Utsunomiya, Kobayashi, et al., 1980	Vertical value; LLK
9.34	PE	Hoppilliard and Solgadi, 1980	Vertical value; LLK
9.6	PE	Dromey and Peel, 1974	Vertical value; LLK
9.45 ± 0.02	PE	Leavell, Steichen, et al., 1973	Vertical value; LLK
9.34	PE	Kimura, Katsumata, et al., 1973	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₂I⁺	13.7 ± 0.3	CH₃	EI	Irsa, 1957	RDSH
CH₃⁺	16.3 ± 0.3	?	EI	Irsa, 1957	RDSH
C₂H₅⁺	10.44	I	PI	Traeger and McLoughlin, 1981	LLK
C₂H₅⁺	10.49	I	PIPECO	Baer, 1980	LLK
C₂H₅⁺	11.0 ± 0.3	I	EI	Irsa, 1957	RDSH
HI⁺	11.7 ± 0.1	?	EI	Irsa, 1957	RDSH
I⁺	14.8 ± 0.2	?	EI	Irsa, 1957	RDSH

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

GAS (50 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

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

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes

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]

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, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References

Symbols used in this document:

AE Appearance energy

IE (evaluated) Recommended ionization energy

Δ_fH°_gas Enthalpy of formation of gas at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.

AE	Appearance energy
IE (evaluated)	Recommended ionization energy
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions