Propene

Formula: C₃H₆
Molecular weight: 42.0797
IUPAC Standard InChI: InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
IUPAC Standard InChIKey: QQONPFPTGQHPMA-UHFFFAOYSA-N
CAS Registry Number: 115-07-1
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.
Isotopologues:
- Propene-d6
Other names: Propylene; 1-Propene; Methylethylene; 1-Propylene; CH3CH=CH2; Methylethene; NCI-C50077; UN 1077; R 1270
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Gas phase thermochemistry data

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	4.879	kcal/mol	Eqk	Furuyama, Golden, et al., 1969	ALS
Δ_fH°_gas	4.879	kcal/mol	Cm	Lacher, Walden, et al., 1950	Heat of hydrobromination; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-491.83 ± 0.27	kcal/mol	Cm	Wiberg and Fenoglio, 1968	Corresponding Δ_fHº_gas = 4.73 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_gas	-491.8 ± 0.1	kcal/mol	Cm	Rossini and Knowlton, 1937	Reanalyzed by Cox and Pilcher, 1970, Original value = -491.74 ± 0.15 kcal/mol; Corresponding Δ_fHº_gas = 4.71 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
8.210	50.	Thermodynamics Research Center, 1997	p=1 bar. Recommended entropies and heat capacities are in good agreement with other statistically calculated values [ Crawford B.L., 1939, Kilpatrick J.E., 1946, Kilpatrick J.E., 1947, Chao J., 1975] as well as with ab initio value of S(298.15 K)=266.82 J/mol*K [ East A.L.L., 1997].; GT
9.338	100.
10.60	150.
12.01	200.
14.45	273.15
15.37	298.15
15.44	300.
19.23	400.
22.75	500.
25.813	600.
28.463	700.
30.765	800.
32.772	900.
34.522	1000.
36.049	1100.
37.380	1200.
38.540	1300.
39.551	1400.
40.435	1500.
42.194	1750.
43.475	2000.
44.429	2250.
45.151	2500.
45.707	2750.
46.147	3000.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
10.64	148.2	Bier K., 1974	Please also see Kistiakowsky G.B., 1940, Kistiakowsky G.B., 1940, 2, Telfair D., 1942.; GT
10.86	157.6
12.48	213.1
12.69	220.1
12.83	223.7
13.97	258.0
14.29	270.
14.36 ± 0.031	272.29
14.69	280.
15.16	291.1
15.25 ± 0.031	298.15
15.47 ± 0.031	299.33
15.47	300.
16.23	320.
16.22 ± 0.033	323.15
16.74 ± 0.041	333.86
16.98	340.
17.16 ± 0.033	348.15
17.72	360.
17.80 ± 0.036	365.15
17.93 ± 0.02	367.11
18.11 ± 0.036	373.15
19.08 ± 0.038	378.15
18.44	380.
19.16	400.
19.88	420.
19.98 ± 0.041	423.15
20.58	440.
20.90 ± 0.041	448.15
21.28	460.
21.79 ± 0.043	473.15
21.97	480.
22.65	500.
22.99	510.

Gas phase ion energetics data

Go To: Top, Gas phase 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:
B - John E. Bartmess
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

View reactions leading to C₃H₆⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.73 ± 0.01	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	179.6	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	172.7	kcal/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.73	PI	Traeger, 1984	LBLHLM
9.69 ± 0.09	EI	Selim, 1980	LLK
9.73 ± 0.02	PI	Wood and Taylor, 1979	LLK
9.7 ± 0.1	PE	Bieri, Burger, et al., 1977	LLK
9.73 ± 0.01	PI	Krassig, Reinke, et al., 1974	LLK
9.744 ± 0.003	PE	Masclet, Grosjean, et al., 1973	LLK
9.72	PE	Katrib and Rabalais, 1973	LLK
9.72	EI	Lossing, 1972	LLK
9.74	PE	Frost and Sandhu, 1971	LLK
9.74 ± 0.01	PI	Person and Nicole, 1970	RDSH
9.69	PE	Dewar and Worley, 1969	RDSH
9.76	CI	Cermak, 1968	RDSH
9.727 ± 0.010	PI	Nicholson, 1965	RDSH
9.74	S	Samson, Marmo, et al., 1962	RDSH
9.73 ± 0.02	PI	Steiner, Giese, et al., 1961	RDSH
9.73	PI	Bralsford, Harris, et al., 1960	RDSH
9.73 ± 0.01	PI	Watanabe, 1957	RDSH
9.91 ± 0.01	PE	Krause, Taylor, et al., 1978	Vertical value; LLK
10.2	PE	Kobayashi, 1978	Vertical value; LLK
10.03	PE	Kimura, Katsumata, et al., 1975	Vertical value; LLK
10.2	PE	White, Carlson, et al., 1974	Vertical value; LLK
9.70	PE	Hentrich, Gunkel, et al., 1974	Vertical value; LLK
9.9	PE	Weidner and Schweig, 1972	Vertical value; LLK
9.86	PE	Mollere, Bock, et al., 1972	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	24.5 ± 0.5	?	EI	Peers and Vigny, 1968	RDSH
CH⁺	22.5 ± 0.5	?	EI	Peers and Vigny, 1968	RDSH
CH₂⁺	17.0 ± 0.5	?	EI	Peers and Vigny, 1968	RDSH
CH₃⁺	14.9	C₂H₃	EI	Haney and Franklin, 1968	RDSH
CH₄⁺	14.7 ± 0.5	?	EI	Peers and Vigny, 1968	RDSH
C₂⁺	28. ± 1.	?	EI	Peers and Vigny, 1968	RDSH
C₂H⁺	21. ± 1.	?	EI	Peers and Vigny, 1968	RDSH
C₂H₂⁺	12.92 ± 0.05	CH₄	PI	Krassig, Reinke, et al., 1974	LLK
C₂H₂⁺	13.6 ± 0.5	CH₄	EI	Peers and Vigny, 1968	RDSH
C₂H₂⁺	14.1	CH₄	EI	Haney and Franklin, 1968	RDSH
C₂H₃⁺	13.78 ± 0.03	CH₃	EI	Selim, 1980	LLK
C₂H₃⁺	13.20 ± 0.04	CH₃	PI	Krassig, Reinke, et al., 1974	LLK
C₂H₃⁺	13.7 ± 0.5	CH₃	EI	Peers and Vigny, 1968	RDSH
C₂H₄⁺	12.4 ± 0.5	?	EI	Peers and Vigny, 1968	RDSH
C₂H₅⁺	12.6 ± 0.5	?	EI	Peers and Vigny, 1968	RDSH
C₃⁺	27. ± 1.	?	EI	Peers and Vigny, 1968	RDSH
C₃H⁺	20.5 ± 0.5	2H₂+H	EI	Peers and Vigny, 1968	RDSH
C₃H⁺	20.2 ± 0.5	2H₂+H	EI	Harrison and Tait, 1962	RDSH
C₃H₂⁺	47. ± 1.	?	EI	Peers and Vigny, 1968	RDSH
C₃H₂⁺	17. ± 1.	2H₂	EI	Peers and Vigny, 1968	RDSH
C₃H₃⁺	14.21 ± 0.09	H₂+H	EI	Selim, 1980	LLK
C₃H₃⁺	13.19 ± 0.05	H₂+H	PI	Krassig, Reinke, et al., 1974	LLK
C₃H₃⁺	14.3 ± 0.5	H₂+H	EI	Peers and Vigny, 1968	RDSH
C₃H₃⁺	14.21	H₂+H	EI	Omura, 1962	RDSH
C₃H₄⁺	11.91 ± 0.03	H₂	PI	Krassig, Reinke, et al., 1974	LLK
C₃H₄⁺	12.3 ± 0.5	H₂	EI	Peers and Vigny, 1968	RDSH
C₃H₄⁺	12.52	H₂	EI	Omura, 1961	RDSH
C₃H₅⁺	11.86	H	PI	Traeger, 1984	LBLHLM
C₃H₅⁺	11.90 ± 0.05	H	EI	Selim, 1980	LLK
C₃H₅⁺	11.78	H	PI	Buttrill, Williamson, et al., 1975	LLK
C₃H₅⁺	11.88 ± 0.03	H	PI	Krassig, Reinke, et al., 1974	LLK
C₃H₅⁺	11.88	H	EI	Lossing, 1971	LLK
C₃H₂₂⁺	33.3 ± 0.5	?	EI	Peers and Vigny, 1968	RDSH
C₃H₅₂⁺	31.1 ± 0.5	H	EI	Peers and Vigny, 1968	RDSH
H⁺	20. ± 1.	?	EI	Peers and Vigny, 1968	RDSH
H₂⁺	16. ± 1.	?	EI	Peers and Vigny, 1968	RDSH

De-protonation reactions

C₃H₅^- + = Propene

By formula: C₃H₅^- + H⁺ = C₃H₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	391.10 ± 0.30	kcal/mol	G+TS	Ellison, Davico, et al., 1996	gas phase; calculated dSacid=24.2±1.0 eu; B
Δ_rH°	390.5 ± 1.0	kcal/mol	D-EA	Wenthold, Polak, et al., 1996	gas phase; B
Δ_rH°	390.7 ± 2.1	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	390.25 ± 0.65	kcal/mol	G+TS	Mackay, Lien, et al., 1978	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	383.80 ± 0.10	kcal/mol	IMRE	Ellison, Davico, et al., 1996	gas phase; calculated dSacid=24.2±1.0 eu; B
Δ_rG°	383.9 ± 1.1	kcal/mol	H-TS	Wenthold, Polak, et al., 1996	gas phase; B
Δ_rG°	384.1 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	383.60 ± 0.50	kcal/mol	IMRE	Mackay, Lien, et al., 1978	gas phase; B

C₃H₅^- + = Propene

By formula: C₃H₅^- + H⁺ = C₃H₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	405.8 ± 2.0	kcal/mol	Bran	DePuy, Gronert, et al., 1989	gas phase; B
Δ_rH°	>404.75 ± 0.60	kcal/mol	G+TS	Froelicher, Freiser, et al., 1986	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	398.0 ± 2.1	kcal/mol	H-TS	DePuy, Gronert, et al., 1989	gas phase; B
Δ_rG°	>397.00	kcal/mol	IMRB	Froelicher, Freiser, et al., 1986	gas phase; B

C₃H₅^- + = Propene

By formula: C₃H₅^- + H⁺ = C₃H₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>404.75 ± 0.90	kcal/mol	G+TS	Froelicher, Freiser, et al., 1986	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	>397.00	kcal/mol	IMRB	Froelicher, Freiser, et al., 1986	gas phase; B

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

GAS (150 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, Gas phase ion energetics data, IR Spectrum, Notes

Furuyama, Golden, et al., 1969
Furuyama, S.; Golden, D.M.; Benson, S.W., Thermochemistry of the gas phase equilibria i-C₃H₇I = C₃H₆ + HI, n-C₃H₇I = i-C₃H₇I, and C₃H₆ + 2HI = C₃H₈ + I₂, J. Chem. Thermodyn., 1969, 1, 363-375. [all data]

Lacher, Walden, et al., 1950
Lacher, J.R.; Walden, C.H.; Lea, K.R.; Park, J.D., Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Am. Chem. Soc., 1950, 72, 331-333. [all data]

Wiberg and Fenoglio, 1968
Wiberg, K.B.; Fenoglio, R.A., Heats of formation of C₄H₆ hydrocarbons, J. Am. Chem. Soc., 1968, 90, 3395-3397. [all data]

Rossini and Knowlton, 1937
Rossini, F.d.; Knowlton, J.W., Calorimetric determination of the heats of combustion of ethylene and propylene, J. Res. NBS, 1937, 19, 249-262. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Crawford B.L., 1939
Crawford B.L., Jr., The entropy and heat capacity of propylene, J. Am. Chem. Soc., 1939, 61, 2980-2981. [all data]

Kilpatrick J.E., 1946
Kilpatrick J.E., Heat content, free energy function, entropy, and heat capacity of ethylene, propylene, and the four butenes to 1500 K, J. Res. Nat. Bur. Stand, 1946, 37, 163-171. [all data]

Kilpatrick J.E., 1947
Kilpatrick J.E., Normal coordinate analysis of the vibrational frequencies of ethylene, propylene, cis-2-butene, trans-2-butene, and isobutene, J. Res. Nat. Bur. Stand., 1947, 38, 191-209. [all data]

Chao J., 1975
Chao J., Ideal gas thermodynamic properties of ethylene and propylene, J. Phys. Chem. Ref. Data, 1975, 4, 251-261. [all data]

East A.L.L., 1997
East A.L.L., Ab initio statistical thermodynamical models for the computation of third-law entropies, J. Chem. Phys., 1997, 106, 6655-6674. [all data]

Bier K., 1974
Bier K., Thermodynamic properties of propylene from calorimetric measurements, J. Chem. Thermodyn., 1974, 6, 1039-1052. [all data]

Kistiakowsky G.B., 1940
Kistiakowsky G.B., The low temperature gaseous heat capacities of certain C3 hydrocarbons, J. Chem. Phys., 1940, 8, 970-977. [all data]

Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B., Gaseous heat capacities. II, J. Chem. Phys., 1940, 8, 610-618. [all data]

Telfair D., 1942
Telfair D., Supersonic measurement of the heat capacity of propylene, J. Chem. Phys., 1942, 10, 167-171. [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]

Traeger, 1984
Traeger, J.C., A study of the allyl cation thermochemistry by photoionization mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 259. [all data]

Selim, 1980
Selim, E.T.M., Ionization dissociation of propylene by electron impact, Indian J. Pure Appl. Phys., 1980, 18, 31. [all data]

Wood and Taylor, 1979
Wood, K.V.; Taylor, J.W., A photoionization mass spectrometric study of autoionization in ethylene and trans-2-butene, Int. J. Mass Spectrom. Ion Phys., 1979, 30, 307. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Krassig, Reinke, et al., 1974
Krassig, R.; Reinke, D.; Baumgartel, H., Photo-reaktionen kleiner organischer molekule II. Die photoionenspektren der Isomeren propylen-cyclopropan und acetaldehyd-athylenoxyd, Ber. Bunsen-Ges. Phys. Chem., 1974, 78, 425. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Katrib and Rabalais, 1973
Katrib, A.; Rabalais, J.W., Electronic interaction between the vinyl group and its substituents, J. Phys. Chem., 1973, 77, 2358. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C₃H₃, C₃H₅, and C₄H₇ radicals and ions, Can. J. Chem., 1972, 50, 3973. [all data]

Frost and Sandhu, 1971
Frost, D.C.; Sandhu, J.S., Ionization potentials of ethylene and some methyl-substituted ethylenes as determined by photoelectron spectroscopy, Indian J. Chem., 1971, 9, 1105. [all data]

Person and Nicole, 1970
Person, J.C.; Nicole, P.P., Isotope effects in the photoionization yields and the absorption cross sections for acetylene, propyne, and propene, J. Chem. Phys., 1970, 53, 1767. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Cermak, 1968
Cermak, V., Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules, Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Samson, Marmo, et al., 1962
Samson, J.A.R.; Marmo, F.F.; Watanabe, K., Absorption and photoionization coefficients of propylene and butene-1 in the vacuum ultraviolet, J. Chem. Phys., 1962, 36, 783. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

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

Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F., An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes, J. Am. Chem. Soc., 1978, 100, 718. [all data]

Kobayashi, 1978
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

Kimura, Katsumata, et al., 1975
Kimura, K.; Katsumata, S.; Yamazaki, T.; Wakabayashi, H., UV photoelectron spectra and sum rule consideration; out-of-plane orbitals of unsaturated compounds with planar-skeleton structure, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 41. [all data]

White, Carlson, et al., 1974
White, R.M.; Carlson, T.A.; Spears, D.P., Angular distribution of the photoelectron spectra for ethylene, propylene, butene and butadiene, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 59. [all data]

Hentrich, Gunkel, et al., 1974
Hentrich, G.; Gunkel, E.; Klessinger, M., Photoelektronenspektren organischer verbindungen. 4. Photoelektronenspektren ungesattigter carbonylverbindungen, J. Mol. Struct., 1974, 21, 231. [all data]

Weidner and Schweig, 1972
Weidner, U.; Schweig, A., Theory and application of photoelectron spectroscopy. V. The nature of bonding in vinyl- and allylsilanes: the effects of σ-π (hyperconjugation) p_π-d_π conjugation in these compounds, J. Organomet. Chem., 1972, 39, 261. [all data]

Mollere, Bock, et al., 1972
Mollere, P.; Bock, H.; Becker, G.; Fritz, G., Photoelectron spectra and molecular properties. XV. The effects of α- and β-silyl substituents on π-systems, J. Organomet. Chem., 1972, 46, 89. [all data]

Peers and Vigny, 1968
Peers, A.M.; Vigny, P., Reactions molecule-ion dans le propylene, J. Chim. Phys., 1968, 65, 805. [all data]

Haney and Franklin, 1968
Haney, M.A.; Franklin, J.L., Correlation of excess energies of electron-impact dissociations with the translational energies of the products, J.Chem. Phys., 1968, 48, 4093. [all data]

Harrison and Tait, 1962
Harrison, A.G.; Tait, J.M.S., Concurrent ion-molecule reactions leading to the same product ion, Can. J. Chem., 1962, 40, 1986. [all data]

Omura, 1962
Omura, I., Study on unimolecular decomposition of excited olefin ions, Bull. Chem. Soc. Japan, 1962, 35, 1845. [all data]

Omura, 1961
Omura, I., Mass spectra at low ionizing voltage and bond dissociation energies of molecular ions from hydrocarbons, Bull. Chem. Soc. Japan, 1961, 34, 1227. [all data]

Buttrill, Williamson, et al., 1975
Buttrill, S.E., Jr.; Williamson, A.D.; LeBreton, P., Photoionization measurement of the heat of formation of allyl cations, J. Chem. Phys., 1975, 62, 1586. [all data]

Lossing, 1971
Lossing, F.P., Free radicals by mass spectrometry. XLIII. Ionization potentials and ionic heats of formation for vinyl, allyl, and benzyl radicals, Can. J. Chem., 1971, 49, 357. [all data]

Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H., Thermochemistry of theb Benzyl and Allyl Radicals and Ions, Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2 . [all data]

Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions, J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Mackay, Lien, et al., 1978
Mackay, G.I.; Lien, M.H.; Hopkinson, A.C.; Bohme, D.K., Experimental and theoretical studies of proton removal from propene, Can. J. Chem., 1978, 56, 131. [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Froelicher, Freiser, et al., 1986
Froelicher, S.W.; Freiser, B.S.; Squires, R.R., The C₃H₅^- isomers. Experimental and theoretical studies of the tautomeric propenyl ions and the cyclopropyl anion in the gas phase, J. Am. Chem. Soc., 1986, 108, 2853. [all data]

Notes

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

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
IE (evaluated)	Recommended ionization energy
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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