2-Butanone
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
- CAS Registry Number: 78-93-3
- 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: Butan-2-one; Butanone; Ethyl methyl ketone; Ketone, methyl ethyl; Methyl ethyl ketone; MEK; C2H5COCH3; Acetone, methyl-; Aethylmethylketon; 3-Butanone; Butanone 2; Ethyl methyl cetone; Ethylmethylketon; Ketone, ethyl methyl; Meetco; Methyl acetone; Metiletilchetone; Metyloetyloketon; Rcra waste number U159; UN 1193; 2-Oxobutane; 2-Butanal; 2-butanone (MEK; methyl ethyl ketone); 2-butanone (MEK)
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Gas phase thermochemistry data
Go To: Top, Condensed phase 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 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 |
---|---|---|---|---|---|
ΔfH°gas | -57.02 ± 0.20 | kcal/mol | Cm | Chao and Zwolinski, 1976 | ALS |
ΔfH°gas | -57.05 ± 0.23 | kcal/mol | Eqk | Buckley and Herington, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -56.89 kcal/mol; ALS |
ΔfH°gas | -56.90 | kcal/mol | Ccb | Sinke and Oetting, 1964 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.63 | 100. | Chao J., 1986 | p=1 bar. Recommended values agree with results of statistical calculations [ Sinke G.C., 1964, Chao J., 1976] within 0.2-1.8 J/mol*K. S(T) values calculated by [ Nickerson J.K., 1961] are different from selected ones by 4-5 J/mol*K.; GT |
16.49 | 150. | ||
19.17 | 200. | ||
22.97 | 273.15 | ||
24.302 ± 0.033 | 298.15 | ||
24.400 | 300. | ||
29.725 | 400. | ||
34.668 | 500. | ||
38.994 | 600. | ||
42.727 | 700. | ||
45.949 | 800. | ||
48.736 | 900. | ||
51.145 | 1000. | ||
53.224 | 1100. | ||
55.022 | 1200. | ||
56.573 | 1300. | ||
57.913 | 1400. | ||
59.075 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.110 ± 0.055 | 347.15 | von Geiseler G., 1973 | Experimental data [ Vilcu R., 1975] differ appreciably from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Low accuracy is also expected for experimental value of Cp(410 K)=123.85 J/mol*K [ Bennewitz K., 1938]. Please also see Nickerson J.K., 1961.; GT |
27.641 ± 0.041 | 358.79 | ||
28.370 ± 0.043 | 371.90 | ||
28.449 ± 0.057 | 372.15 | ||
29.099 ± 0.043 | 385.60 | ||
29.730 ± 0.060 | 397.15 | ||
29.780 ± 0.045 | 399.55 | ||
30.349 ± 0.045 | 410.70 | ||
31.479 ± 0.062 | 432.15 | ||
33.131 ± 0.067 | 467.15 |
Condensed phase thermochemistry data
Go To: Top, Gas phase 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 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 |
---|---|---|---|---|---|
ΔfH°liquid | -65.31 ± 0.29 | kcal/mol | Ccb | Sinke and Oetting, 1964 | ALS |
ΔfH°liquid | -66.68 | kcal/mol | Ccb | Parks, Mosley, et al., 1950 | see Moore, Renquist, et al., 1940; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -584.17 | kcal/mol | Ccb | Sinke and Oetting, 1964 | Corresponding ΔfHºliquid = -65.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -582.80 | kcal/mol | Ccb | Parks, Mosley, et al., 1950 | see Moore, Renquist, et al., 1940; Corresponding ΔfHºliquid = -66.66 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -582.28 ± 0.37 | kcal/mol | Ccb | Crog and Hunt, 1942 | Corresponding ΔfHºliquid = -67.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 57.12 | cal/mol*K | N/A | Andon, Counsell, et al., 1968 | DH |
S°liquid | 57.079 | cal/mol*K | N/A | Sinke and Oetting, 1964 | DH |
S°liquid | 57.70 | cal/mol*K | N/A | Parks, Kennedy, et al., 1956 | Extrapolation below 80 K, 53.47 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.0 | 298.15 | Malhotra and Woolf, 1992 | T = 278 to 338 K. p = 0.1 MPa.; DH |
38.77 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
37.86 | 298.15 | Costas and Patterson, 1985 | T = 283.15, 298.15, 313.15 K.; DH |
37.86 | 298.15 | Costas and Patterson, 1985, 2 | DH |
37.741 | 298.15 | Grolier and Benson, 1984 | DH |
37.86 | 298.1 | Roux, Perron, et al., 1978 | T = 277 to 313 K.; DH |
38.05 | 298.15 | Grolier, Benson, et al., 1975 | DH |
37.93 | 298.15 | Andon, Counsell, et al., 1968 | T = 10 to 320 K.; DH |
37.76 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 353 K.; DH |
37.980 | 298.15 | Sinke and Oetting, 1964 | T = 13 to 308 K.; DH |
37.861 | 298.15 | Parks, Kennedy, et al., 1956 | T = 80 to 300 K.; DH |
38.41 | 297.0 | Kolosovskii and Udovenko, 1934 | DH |
38.41 | 297.0 | de Kolossowsky and Udowenko, 1933 | DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
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 C4H8O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.52 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 197.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 190.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.000999 | EFD | Desfrancois, Abdoul-Carime, et al., 1994 | EA: 1.0 meV. Dipole-bound state.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.52 | PI | Traeger, 1985 | LBLHLM |
9.7 | EI | McAdoo and Hudson, 1983 | LBLHLM |
9.52 | PI | Traeger, McLouglin, et al., 1982 | LBLHLM |
9.529 ± 0.005 | PE | Hernandez, Masclet, et al., 1977 | LLK |
9.53 ± 0.01 | PE | Mouvier and Hernandez, 1975 | LLK |
9.54 ± 0.03 | EI | Mouvier and Hernandez, 1975 | LLK |
9.52 | PE | Tam, Yee, et al., 1974 | LLK |
9.54 ± 0.01 | PI | Potapov and Sorokin, 1972 | LLK |
9.54 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.51 | PE | Dewar and Worley, 1969 | RDSH |
9.48 ± 0.02 | PI | Murad and Inghram, 1964 | RDSH |
9.53 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.54 ± 0.03 | PI | Vilesov, 1960 | RDSH |
9.5 ± 0.1 | PI | Hurzeler, Inghram, et al., 1958 | RDSH |
9.55 ± 0.03 | PI | Vilesov and Terenin, 1957 | RDSH |
9.46 | PE | Olivato, Guerrero, et al., 1984 | Vertical value; LBLHLM |
9.49 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
9.56 | PE | Kimura, Katsumata, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 15.49 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
C2H3O+ | 10.32 | C2H5 | PI | Traeger, McLouglin, et al., 1982 | LBLHLM |
C2H3O+ | 10.69 | C2H5 | EI | Mouvier and Hernandez, 1975 | LLK |
C2H3O+ | 10.30 ± 0.05 | C2H5 | PI | Potapov and Sorokin, 1972 | LLK |
C2H3O+ | 10.97 | C2H5 | EI | Potzinger and Bunau, 1969 | RDSH |
C2H3O+ | 10.3 | C2H5 | PI | Murad and Inghram, 1964 | RDSH |
C2H5+ | 12.88 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
C3H5O+ | 9.90 | CH3 | PI | Traeger, 1985 | LBLHLM |
C3H5O+ | 10.15 ± 0.05 | CH3 | PI | Potapov and Sorokin, 1972 | LLK |
C3H5O+ | 10.60 | CH3 | EI | Potzinger and Bunau, 1969 | RDSH |
C3H5O+ | 10.18 | CH3 | PI | Murad and Inghram, 1964, 2 | RDSH |
De-protonation reactions
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.2 ± 2.8 | kcal/mol | G+TS | Chyall, Brickhouse, et al., 1994 | gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B |
ΔrH° | 369.2 ± 2.4 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.4 ± 2.6 | kcal/mol | IMRE | Chyall, Brickhouse, et al., 1994 | gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B |
ΔrG° | 362.4 ± 2.6 | kcal/mol | H-TS | Zimmerman, Reed, et al., 1977 | gas phase; B |
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.0 ± 4.0 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | <409.00 | kcal/mol | CIDT | Graul and Squires, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 393.5 ± 4.1 | kcal/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 368.1 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 361.3 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chao and Zwolinski, 1976
Chao, J.; Zwolinski, B.J.,
Ideal gas thermodynamic properties of propanone and 2-butanone,
J. Phys. Chem. Ref. Data, 1976, 5, 319-328. [all data]
Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G.,
Equilibria in some secondary alcohol + hydrogen + ketone systems,
Trans. Faraday Soc., 1965, 61, 1618-1625. [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]
Sinke and Oetting, 1964
Sinke, G.C.; Oetting, F.L.,
The chemical thermodynamic properties of methyl ethyl ketone,
J. Phys. Chem., 1964, 68, 1354-1358. [all data]
Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]
Sinke G.C., 1964
Sinke G.C.,
The chemical thermodynamic properties of methyl ethyl ketone,
J. Phys. Chem., 1964, 68, 1354-1358. [all data]
Chao J., 1976
Chao J.,
Ideal gas thermodynamic properties of propanone and 2-butanone,
J. Phys. Chem. Ref. Data, 1976, 5, 319-328. [all data]
Nickerson J.K., 1961
Nickerson J.K.,
The thermodynamic properties of the methyl ketone series,
J. Phys. Chem., 1961, 65, 1037-1043. [all data]
von Geiseler G., 1973
von Geiseler G.,
The heat capacity and the heat of vaporization of isomeric butylmethylketones and propylacetates,
Z. Phys. Chem. (Leipzig), 1973, 252, 170-176. [all data]
Vilcu R., 1975
Vilcu R.,
Determination of heat capacities of some alcohols and ketones in vapor phase,
Rev. Roum. Chim., 1975, 20, 603-609. [all data]
Kabo G.J., 1995
Kabo G.J.,
Thermodynamic properties, conformation, and phase transitions of cyclopentanol,
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Bennewitz K., 1938
Bennewitz K.,
Molar heats of vapor organic compounds,
Z. Phys. Chem. (Leipzig), 1938, B39, 126-144. [all data]
Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr.,
Heats of combustion and formation of some organic compounds containing oxygen,
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Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S.,
Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins,
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Crog and Hunt, 1942
Crog, R.S.; Hunt, H.,
Heats of combustion. II. The heats of combustion of ethyl methyl ketone and ethylene oxide,
J. Phys. Chem., 1942, 46, 1162-1163. [all data]
Andon, Counsell, et al., 1968
Andon, R.J.L.; Counsell, J.F.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. Part XX. The low-temperature heat capacity and entropy of C4 and C5 ketones,
J. Chem. Soc. A, 1968, 1894-1897. [all data]
Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L.,
Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen.,
Not In System, 1956, 78, 56-59. [all data]
Malhotra and Woolf, 1992
Malhotra, R.; Woolf, L.A.,
Thermodynamic properties of butan-2-one at temperatures from 278 to 338 K and pressures from 0.1 MPa to 280 MPa; predictions for higher ketones,
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Reddy, 1986
Reddy, K.S.,
Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K,
J. Chem. Eng. Data, 1986, 31, 238-240. [all data]
Costas and Patterson, 1985
Costas, M.; Patterson, D.,
Heat capacities of water + organic-solvent mixtures, J. Chem. Soc.,
Faraday Trans. 1, 1985, 81, 2381-2398. [all data]
Costas and Patterson, 1985, 2
Costas, M.; Patterson, D.,
Self-association of alcohols in inert solvents, J. Chem. Soc.,
Faraday Trans. 1, 1985, 81, 635-654. [all data]
Grolier and Benson, 1984
Grolier, J.-P.E.; Benson, G.C.,
Thermodynamic properties of binary mixtures containing ketones. VIII. Heat capacities and volumes of some n-alkanone + n-alkane mixtures at 298.15 K,
Can. J. Chem., 1984, 62, 949-953. [all data]
Roux, Perron, et al., 1978
Roux, G.; Perron, G.; Desnoyers, J.E.,
The heat capacities and volumes of some low molecular weight amides, ketones, esters, and ethers in water over the whole solubility range,
Can. J. Chem., 1978, 56, 2808-2814. [all data]
Grolier, Benson, et al., 1975
Grolier, J-P.E.; Benson, G.C.; Picker, P.,
Simultaneous measurements of heat capacities and densities of organic liquid mixtures-systems containing ketones,
J. Chem. Eng. Data, 1975, 20, 243-246. [all data]
Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A.,
Study of the heat capacity of selected solvents,
Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]
Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W.,
Specific heat of liquids. II.,
Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]
de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W.,
Mesure des chaleurs specifique moleculaires de quelques liquides,
Compt. rend., 1933, 197, 519-520. [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]
Desfrancois, Abdoul-Carime, et al., 1994
Desfrancois, C.; Abdoul-Carime, H.; Khelifa, N.; Schermann, J.P.,
Fork 1/r to 1/r2 Potentials: Electron Exchange between Rydberg Atoms and Polar Molecules,
Phys. Rev. Lett., 1994, 73, 18, 2436, https://doi.org/10.1103/PhysRevLett.73.2436
. [all data]
Traeger, 1985
Traeger, J.C.,
Heat of formation for the propanoyl cation by photoionization mass spectrometry,
Org. Mass Spectrom., 1985, 20, 223. [all data]
McAdoo and Hudson, 1983
McAdoo, D.J.; Hudson, C.E.,
The decompositions of metastable [C4H8O]+ ions and the [C4H8O]+ potential surface,
Org. Mass Spectrom., 1983, 18, 466. [all data]
Traeger, McLouglin, et al., 1982
Traeger, J.C.; McLouglin, R.G.; Nicholson, A.J.C.,
Heat of formation for acetyl cation in the gas phase,
J. Am. Chem. Soc., 1982, 104, 5318. [all data]
Hernandez, Masclet, et al., 1977
Hernandez, R.; Masclet, P.; Mouvier, G.,
Spectroscopie de photoelectrons d'aldehydes et de cetones aliphatiques,
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 333. [all data]
Mouvier and Hernandez, 1975
Mouvier, G.; Hernandez, R.,
Ionisation and appearance potentials of alkylketones,
Org. Mass Spectrom., 1975, 10, 958. [all data]
Tam, Yee, et al., 1974
Tam, W.-C.; Yee, D.; Brion, C.E.,
Photoelectron spectra of some aldehydes and ketones,
J. Electron Spectrosc. Relat. Phenom., 1974, 4, 77. [all data]
Potapov and Sorokin, 1972
Potapov, V.K.; Sorokin, V.V.,
Kinetic energies of products of dissociative photoionization of molecules. I. Aliphatic ketones and alcohols,
Khim. Vys. Energ., 1972, 6, 387. [all data]
Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J.,
The effect of alkyl substitution on ionisation potential,
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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]
Murad and Inghram, 1964
Murad, E.; Inghram, M.G.,
Photoionization of aliphatic ketones,
J. Chem. Phys., 1964, 40, 3263. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
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Vilesov, 1960
Vilesov, F.I.,
The photoionization of vapors of compounds whose molecules contain carbonyl groups,
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Hurzeler, Inghram, et al., 1958
Hurzeler, H.; Inghram, M.G.; Morrison, J.D.,
Photon impact studies of molecules using a mass spectrometer,
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Vilesov and Terenin, 1957
Vilesov, F.I.; Terenin, A.N.,
The photoionization of the vapors of certain organic compounds,
Dokl. Akad. Nauk SSSR, 1957, 115, 744, In original 539. [all data]
Olivato, Guerrero, et al., 1984
Olivato, P.R.; Guerrero, S.A.; Modelli, A.; Granozzi, G.; Jones, D.; Distefano, G.,
Electronic interaction in heterosubstituted acetones studied by means of ultraviolet photoelectron and electron transmission spectroscopy,
J. Chem. Soc. Perkin Trans. 2, 1984, 1505. [all data]
Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G.,
Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules,
J. Am. Chem. Soc., 1977, 99, 3980. [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]
Potzinger and Bunau, 1969
Potzinger, P.; Bunau, G.v.,
Empirische Beruksichtigung von Uberschussenergien bei der Auftrittspotentialbestimmung,
Ber. Bunsen-Ges. Phys. Chem., 1969, 73, 466. [all data]
Murad and Inghram, 1964, 2
Murad, E.; Inghram, M.G.,
Thermodynamic properties of the acetyl radical and bond dissociation energies in aliphatic carbonyl compounds,
J. Chem. Phys., 1964, 41, 404. [all data]
Chyall, Brickhouse, et al., 1994
Chyall, L.J.; Brickhouse, M.D.; Schnute, M.E.; Squires, R.R.,
Kinetic versus thermodynamic control in the deprotonation of unsymmetrical ketones in the gas phase,
J. Am. Chem. Soc., 1994, 116, 19, 8681, https://doi.org/10.1021/ja00098a031
. [all data]
Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I.,
Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals,
J. Am. Chem. Soc., 1977, 99, 7203. [all data]
Graul and Squires, 1990
Graul, S.T.; Squires, R.R.,
Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions,
J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007
. [all data]
Graul and Squires, 1988
Graul, S.T.; Squires, R.R.,
On the Existence of Alkyl Carbanions in the Gas Phase,
J. Am. Chem. Soc., 1988, 110, 2, 607, https://doi.org/10.1021/ja00210a054
. [all data]
Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P.,
Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A),
Can. J. Chem., 1978, 56, 1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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