2-Butanone

Formula: C₄H₈O
Molecular weight: 72.1057
IUPAC Standard InChI: InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
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
View 3d structure (requires JavaScript / HTML 5)
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, Ion clustering data, Vibrational and/or electronic energy levels, 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	-238.6 ± 0.84	kJ/mol	Cm	Chao and Zwolinski, 1976	ALS
Δ_fH°_gas	-238.7 ± 0.96	kJ/mol	Eqk	Buckley and Herington, 1965	Reanalyzed by Cox and Pilcher, 1970, Original value = -238.0 kJ/mol; ALS
Δ_fH°_gas	-238.1	kJ/mol	Ccb	Sinke and Oetting, 1964	ALS

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
57.03	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/molK. S(T) values calculated by [ Nickerson J.K., 1961] are different from selected ones by 4-5 J/molK.; GT
68.98	150.
80.20	200.
96.12	273.15
101.68 ± 0.14	298.15
102.09	300.
124.37	400.
145.05	500.
163.15	600.
178.77	700.
192.25	800.
203.91	900.
213.99	1000.
222.69	1100.
230.21	1200.
236.70	1300.
242.31	1400.
247.17	1500.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
113.43 ± 0.23	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
115.65 ± 0.17	358.79
118.70 ± 0.18	371.90
119.03 ± 0.24	372.15
121.75 ± 0.18	385.60
124.39 ± 0.25	397.15
124.60 ± 0.19	399.55
126.98 ± 0.19	410.70
131.71 ± 0.26	432.15
138.62 ± 0.28	467.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes

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
Δ_fH°_liquid	-273.3 ± 1.2	kJ/mol	Ccb	Sinke and Oetting, 1964	ALS
Δ_fH°_liquid	-279.0	kJ/mol	Ccb	Parks, Mosley, et al., 1950	see Moore, Renquist, et al., 1940; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-2444.2	kJ/mol	Ccb	Sinke and Oetting, 1964	Corresponding Δ_fHº_liquid = -273.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2438.4	kJ/mol	Ccb	Parks, Mosley, et al., 1950	see Moore, Renquist, et al., 1940; Corresponding Δ_fHº_liquid = -278.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2436.3 ± 1.5	kJ/mol	Ccb	Crog and Hunt, 1942	Corresponding Δ_fHº_liquid = -281.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	239.0	J/mol*K	N/A	Andon, Counsell, et al., 1968	DH
S°_liquid	238.82	J/mol*K	N/A	Sinke and Oetting, 1964	DH
S°_liquid	241.4	J/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

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
159.	298.15	Malhotra and Woolf, 1992	T = 278 to 338 K. p = 0.1 MPa.; DH
162.2	303.15	Reddy, 1986	T = 303.15, 313.15 K.; DH
158.4	298.15	Costas and Patterson, 1985	T = 283.15, 298.15, 313.15 K.; DH
158.4	298.15	Costas and Patterson, 1985, 2	DH
157.91	298.15	Grolier and Benson, 1984	DH
158.4	298.1	Roux, Perron, et al., 1978	T = 277 to 313 K.; DH
159.2	298.15	Grolier, Benson, et al., 1975	DH
158.7	298.15	Andon, Counsell, et al., 1968	T = 10 to 320 K.; DH
158.0	293.	Rastorguev and Ganiev, 1967	T = 293 to 353 K.; DH
158.91	298.15	Sinke and Oetting, 1964	T = 13 to 308 K.; DH
158.41	298.15	Parks, Kennedy, et al., 1956	T = 80 to 300 K.; DH
160.7	297.0	Kolosovskii and Udovenko, 1934	DH
160.7	297.0	de Kolossowsky and Udowenko, 1933	DH

Ion clustering data

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Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

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

CH₆N⁺ + 2-Butanone = (CH₆N⁺ • )

By formula: CH₆N⁺ + C₄H₈O = (CH₆N⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	105.	kJ/mol	PHPMS	Meot-Ner, 1984	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Meot-Ner, 1984	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
47.7	553.	PHPMS	Meot-Ner, 1984	gas phase; Entropy change calculated or estimated; M

C₃H₉Sn⁺ + 2-Butanone = (C₃H₉Sn⁺ • )

By formula: C₃H₉Sn⁺ + C₄H₈O = (C₃H₉Sn⁺ • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	164.	kJ/mol	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	137.	J/mol*K	N/A	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
92.5	525.	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C₄H₉O⁺ + 2-Butanone = (C₄H₉O⁺ • )

By formula: C₄H₉O⁺ + C₄H₈O = (C₄H₉O⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	127.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	129.	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	88.7	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C₅H₁₁O⁺ + 2-Butanone = (C₅H₁₁O⁺ • )

By formula: C₅H₁₁O⁺ + C₄H₈O = (C₅H₁₁O⁺ • C₄H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	123.	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	123.	J/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	86.6	kJ/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

+ 2-Butanone = ( • )

By formula: Cl^- + C₄H₈O = (Cl^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.9 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	87.9	J/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)(CH3)2CO, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	36. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

+ 2-Butanone = ( • )

By formula: Mg⁺ + C₄H₈O = (Mg⁺ • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	280.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(CH3OH); M

+ 2-Butanone = ( • )

By formula: NO^- + C₄H₈O = (NO^- • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	177.	kJ/mol	ICR	Reents and Freiser, 1981	gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

+ 2-Butanone = ( • )

By formula: Na⁺ + C₄H₈O = (Na⁺ • C₄H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	131. ± 7.1	kJ/mol	CIDT	Moision and Armentrout, 2002	RCD

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Ion clustering data, References, Notes

Data compiled by: Takehiko Shimanouchi

Trans form Symmetry: C_s Symmetry Number σ = 1

Sym.	No	Approximate	Selected Freq.		Infrared		Raman		Comments

Species		type of mode	Value	Rating	Value	Phase	Value	Phase

a'	1	CH3(1) d-str	2983	D	2983 S	liq.	2983 M	liq.	OV(ν₂,ν₂₁,ν₂₂)
a'	2	CH3(4) d-str	2983	D	2983 S	liq.	2983 M	liq.	OV(ν₁,ν₂₁,ν₂₂)
a'	3	CH3(1) s-str	2910	D	2910 S	liq.	2924 S p	liq.	OV(ν₄)
a'	4	CH3(4) s-str	2910	D	2910 S	liq.	2924 S p	liq.	OV(ν₃)
a'	5	CH2 s-str	2884	D	2884 S	liq.
a'	6	CO str	1716	C	1716 S	sln.	1715 M p	liq.
a'	7	CH3(4) d-deform	1460	D	1460 M	sln.	1450 M	liq.	OV(ν₂₄)
a'	8	CH2 scis	1422	C	1422 S	sln.	1419 M	liq.
a'	9	CH3(1) d-deform	1413	D	1413 S	sln.			OV(ν₂₅)
a'	10	CH3(4) s-deform	1373	C	1373 S	sln.
a'	11	CH3(1) s-deform	1346	C	1346 S	sln.	1345 W	liq.
a'	12	CH2 wag	1263	D	1263 W	sln.	1258 W	liq.	OV(ν₂₆)
a'	13	CC(12) str	1182	C	1182 S	sln.	1169 W	liq.
a'	14	CH3(4) rock	1089	C	1089 M	sln.	1087 M p	liq.
a'	15	CC(34) str	997	C	997	sln.	999 W	liq.
a'	16	CH3(1) rock	939	C	939	sln.	751 W	liq.
a'	17	CC(23) str	760	D	760 S	liq.	760 M p	liq.
a'	18	CO ip-bend	590	C	590 S	sln.	591 W	liq.
a'	19	CCC(123) deform	413	C	413 S	sln.	410 W	liq.
a'	20	CCC(234) deform	260	C	260 S	sln.	264 W	liq.
a	21	CH3(1) d-str	2983	D	2983 S	liq.	2983	liq.	OV(ν₁,ν₂,ν₂₂)
a	22	CH3(4) d-str	2983	D	2983 S	liq.	2983	liq.	OV(ν₁,ν₂,ν₂₁)
a	23	CH2 d-str	2941	D	2941 S	liq.
a	24	CH3(4) d-deform	1460	D	1460 M	sln.	1450 M	liq.	OV(ν₇)
a	25	CH3(1) d-deform	1413	D	1413 S	sln.			OV(ν₉)
a	26	CH2 twist	1263	D	1263 W	sln.	1258 W	liq.	OV(ν₁₂)
a	27	CH3(4) rock	1108	C	1108 W	sln.
a	28	CH3(1) rock	952	C	952 sh	sln.	951 W	liq.
a	29	CH2 rock	768	D	768 S	liq.
a	30	CO op-bend	460	C	460 VW	sln.
a	31	CC(34) torsion	201	E					CF
a	32	CC(12) torsion	106	E					CF
a	33	CC(23) torsion	87	C	87 W	sln.

Source: Shimanouchi, 1972

Notes

Strong

Medium

Weak

Very weak

Shoulder

Polarized

Calculated frequency

Overlapped by band indicated in parentheses.

3~6 cm^-1 uncertainty

6~15 cm^-1 uncertainty

15~30 cm^-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, Notes

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, J. Chem. Thermodyn., 1995, 27, 953-967. [all data]

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, J. Chem. Phys., 1950, 18, 152. [all data]

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, J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]

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, J. Chem. Thermodynam., 1992, 24, 1207-1217. [all data]

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]

Meot-Ner, 1984
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E., A high-pressure mass spectrometric study of the binding of (CH₃)₃Sn⁺ to lewis bases in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Operti, Tews, et al., 1988
Operti, L.; Tews, E.C.; Freiser, B.S., Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques, J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020 . [all data]

Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S., Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes, J. Am. Chem. Soc., 1981, 103, 2791. [all data]

Farid and McMahon, 1978
Farid, R.; McMahon, T.B., Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0 . [all data]

Moision and Armentrout, 2002
Moision, R.M.; Armentrout, P.B., Experimental and Theoretical Dissection of Sodium Cation/Glycine Interactions, J. Phys. Chem A, 2002, 106, 43, 10350, https://doi.org/10.1021/jp0216373 . [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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
S°_liquid	Entropy of liquid at standard conditions
T	Temperature
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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2-Butanone

Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

Vibrational and/or electronic energy levels

Trans form Symmetry: Cs Symmetry Number σ = 1

Notes

References

Notes

Trans form Symmetry: C_s Symmetry Number σ = 1