Acetone

Formula: C₃H₆O
Molecular weight: 58.0791
IUPAC Standard InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
IUPAC Standard InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
CAS Registry Number: 67-64-1
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:
- Acetone-D6
Other names: 2-Propanone; β-Ketopropane; Dimethyl ketone; Dimethylformaldehyde; Methyl ketone; Propanone; Pyroacetic ether; (CH3)2CO; Dimethylketal; Ketone propane; Ketone, dimethyl-; Chevron acetone; Rcra waste number U002; UN 1090; Sasetone; Propan-2-one; NSC 135802
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 85
- Henry's Law data
- IR Spectrum
- Mass spectrum (electron ionization)
- UV/Visible spectrum
- Vibrational and/or electronic energy levels
Data at other public NIST sites:
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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	-218.5 ± 0.59	kJ/mol	Cm	Wiberg, Crocker, et al., 1991	ALS
Δ_fH°_gas	-217.1 ± 0.50	kJ/mol	Cm	Chao and Zwolinski, 1976	ALS
Δ_fH°_gas	-217.5 ± 0.67	kJ/mol	Eqk	Buckley and Herington, 1965	ALS
Δ_fH°_gas	-216.4	kJ/mol	Cm	Pennington and Kobe, 1957	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-1821.4 ± 0.84	kJ/mol	Ccb	Miles and Hunt, 1941	Corresponding Δ_fHº_gas = -216.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
51.73	100.	Chao J., 1986	p=1 bar. Recommended values agree with results of statistical calculations [ Pennington R.E., 1957, Chao J., 1976] within 0.5-2.8 J/mol*K.; GT
56.18	150.
61.20	200.
71.09	273.15
75.02 ± 0.11	298.15
75.32	300.
92.06	400.
108.08	500.
122.20	600.
134.43	700.
145.00	800.
154.15	900.
162.09	1000.
168.96	1100.
174.92	1200.
180.09	1300.
184.58	1400.
188.49	1500.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
80.58 ± 0.81	332.6	Chao J., 1976	Experimental data [ Vilcu R., 1975] differ substantially from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Please also see Bennewitz K., 1938, Collins B.T., 1949, Pennington R.E., 1957.; GT
80.96 ± 0.81	334.
81.50 ± 0.16	338.2
83.35 ± 0.83	347.8
83.39 ± 0.83	348.
87.03 ± 0.87	363.
87.19 ± 0.17	371.2
87.53 ± 0.88	372.3
89.24 ± 0.89	378.
91.84 ± 0.92	393.
92.93 ± 0.19	405.2
94.18 ± 0.94	408.
93.30	410.
96.8 ± 1.9	422.6
99.4 ± 2.0	428.
100.5 ± 2.0	438.
98.66 ± 0.20	439.2

Reaction thermochemistry data

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

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

Reactions 1 to 50

+ Acetone = ( • Acetone )

By formula: Cl^- + C₃H₆O = (Cl^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56. ± 6.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	76.1	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Δ_rS°	82.0	J/mol*K	PHPMS	French, Ikuta, et al., 1982	gas phase; M
Δ_rS°	71.5	J/mol*K	PHPMS	Hiraoka, Takimoto, et al., 1986	gas phase; M
Δ_rS°	82.4	J/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33.8 ± 0.84	kJ/mol	TDAs	Bofdanov and McMahon, 2002	gas phase; B
Δ_rG°	30.5	kJ/mol	TDAs	Hiraoka, Morise, et al., 1986	gas phase; B
Δ_rG°	36.8 ± 1.3	kJ/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	34. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984, 2	gas phase; B,M
Δ_rG°	33. ± 8.4	kJ/mol	TDAs	French, Ikuta, et al., 1982	gas phase; B

C₃H₇O⁺ + Acetone = (C₃H₇O⁺ • Acetone )

By formula: C₃H₇O⁺ + C₃H₆O = (C₃H₇O⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	128.	kJ/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; M
Δ_rH°	126.	kJ/mol	PHPMS	Szulejko and McMahon, 1991	gas phase; M
Δ_rH°	124.	kJ/mol	PHPMS	Hiraoka and Takimoto, 1986	gas phase; M
Δ_rH°	132.	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
Δ_rH°	126.	kJ/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; M
Δ_rS°	128.	J/mol*K	PHPMS	Szulejko and McMahon, 1991	gas phase; M
Δ_rS°	123.	J/mol*K	PHPMS	Hiraoka and Takimoto, 1986	gas phase; M
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
Δ_rS°	127.	J/mol*K	PHPMS	Lau, Saluja, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	93.3	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

C₃H₇O₂⁺ + Acetone = (C₃H₇O₂⁺ • Acetone )

By formula: C₃H₇O₂⁺ + C₃H₆O = (C₃H₇O₂⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	126.	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°	121.	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°	89.5	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

C₄H₉O⁺ + Acetone = (C₄H₉O⁺ • Acetone )

By formula: C₄H₉O⁺ + C₃H₆O = (C₄H₉O⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130.	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°	128.	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°	91.6	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

C₄H₉O⁺ + Acetone = (C₄H₉O⁺ • Acetone )

By formula: C₄H₉O⁺ + C₃H₆O = (C₄H₉O⁺ • C₃H₆O)

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°	122.	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

C₅H₁₁O⁺ + Acetone = (C₅H₁₁O⁺ • Acetone )

By formula: C₅H₁₁O⁺ + C₃H₆O = (C₅H₁₁O⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	119.	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°	121.	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°	83.3	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

C₃H₅O^- + = Acetone

By formula: C₃H₅O^- + H⁺ = C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1543. ± 8.8	kJ/mol	D-EA	Brinkman, Berger, et al., 1993	gas phase; B
Δ_rH°	1544. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1546. ± 11.	kJ/mol	G+TS	Cumming and Kebarle, 1978	gas phase; B
Δ_rH°	1538. ± 7.5	kJ/mol	EIAE	Muftakhov, Vasil'ev, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1514. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1516. ± 8.4	kJ/mol	IMRE	Cumming and Kebarle, 1978	gas phase; B

C₃H₉Si⁺ + Acetone = (C₃H₉Si⁺ • Acetone )

By formula: C₃H₉Si⁺ + C₃H₆O = (C₃H₉Si⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	188.	kJ/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	123.	J/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
131.	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

+ Acetone = ( • Acetone )

By formula: Na⁺ + C₃H₆O = (Na⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	131. ± 4.2	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	129. ± 2.	kJ/mol	HPMS	Hoyau, Norrman, et al., 1999	See 96KLA/AND?; RCD
Δ_rH°	102.	kJ/mol	CIDT	Klassen, Anderson, et al., 1996	RCD
Δ_rH°	140. ± 0.8	kJ/mol	HPMS	Guo, Conklin, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	87900.	J/mol*K	HPMS	Hoyau, Norrman, et al., 1999	See 96KLA/AND?; RCD
Δ_rS°	109.	J/mol*K	HPMS	Guo, Conklin, et al., 1989	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
101.	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (Cu⁺ • C₃H₆O) + C₃H₆O = (Cu⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	210. ± 7.1	kJ/mol	CIDT	Chu, 2002	RCD
Δ_rH°	64.9	kJ/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33.	kJ/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

+ Acetone = ( • Acetone )

By formula: Cu⁺ + C₃H₆O = (Cu⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	199. ± 4.2	kJ/mol	CIDT	Chu, 2002	RCD
Δ_rH°	62.3	kJ/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	31.	kJ/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

+ = 2 + Acetone

By formula: H₂O + C₅H₁₂O₂ = 2CH₄O + C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.3 ± 0.04	kJ/mol	Cm	Wiberg, Morgan, et al., 1994	liquid phase; ALS
Δ_rH°	20.43 ± 0.04	kJ/mol	Cm	Wiberg and Squires, 1979	liquid phase; Heat of hydrolysis; ALS
Δ_rH°	20.433 ± 0.028	kJ/mol	Cm	Wiberg and Squires, 1979, 2	liquid phase; solvent: Water; Hydrolysis; ALS
Δ_rH°	-16.5 ± 0.2	kJ/mol	Cm	Stern and Dorer, 1962	liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 15.4 ± 0.2 kJ/mol; Heat of hydrolysis; ALS

C₃H₉Sn⁺ + Acetone = (C₃H₉Sn⁺ • Acetone )

By formula: C₃H₉Sn⁺ + C₃H₆O = (C₃H₉Sn⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	156.	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°	129.	J/mol*K	N/A	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	88.7	kJ/mol	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

( • 4 Acetone ) + Acetone = ( • 5 Acetone )

By formula: (H₄N⁺ • 4C₃H₆O) + C₃H₆O = (H₄N⁺ • 5C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	42.3	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
19.	215.	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; Entropy change calculated or estimated; M

CN^- + Acetone = (CN^- • Acetone )

By formula: CN^- + C₃H₆O = (CN^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62. ± 15.	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	94.1	J/mol*K	N/A	Larson and McMahon, 1987	gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33. ± 9.6	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (Cl^- • 2C₃H₆O) + C₃H₆O = (Cl^- • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43.5 ± 8.4	kJ/mol	TDAs	Hiraoka, Takimoto, et al., 1986	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.	J/mol*K	N/A	Hiraoka, Takimoto, et al., 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	16. ± 19.	kJ/mol	TDAs	Hiraoka, Takimoto, et al., 1986	gas phase; Entropy estimated; B

+ Acetone =

By formula: H₂ + C₃H₆O = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-68.74 ± 0.42	kJ/mol	Cm	Wiberg, Crocker, et al., 1991	liquid phase; ALS
Δ_rH°	-55.23	kJ/mol	Eqk	Buckley and Herington, 1965	gas phase; ALS
Δ_rH°	-55.40 ± 0.42	kJ/mol	Chyd	Dolliver, Gresham, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -56.1 ± 0.4 kJ/mol; At 355 °K; ALS

+ Acetone = ( • Acetone )

By formula: C₂H₃O₂^- + C₃H₆O = (C₂H₃O₂^- • C₃H₆O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	65.7 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	91.6	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	38. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (Cl^- • C₃H₆O) + C₃H₆O = (Cl^- • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.1 ± 4.2	kJ/mol	TDAs	Hiraoka, Takimoto, et al., 1986	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.9	J/mol*K	PHPMS	Hiraoka, Takimoto, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23. ± 9.2	kJ/mol	TDAs	Hiraoka, Takimoto, et al., 1986	gas phase; B

C₆H₅NO₂^- + Acetone = (C₆H₅NO₂^- • Acetone )

By formula: C₆H₅NO₂^- + C₃H₆O = (C₆H₅NO₂^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.41 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.8 ± 1.7	kJ/mol	TDAs	Sieck, 1985	gas phase; B

+ Acetone = ( • Acetone )

By formula: NO₂^- + C₃H₆O = (NO₂^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.53 ± 0.42	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	108.	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34.3 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B

(CAS Reg. No. 15520-32-8 • 4294967295 Acetone ) + Acetone = CAS Reg. No. 15520-32-8

By formula: (CAS Reg. No. 15520-32-8 • 4294967295C₃H₆O) + C₃H₆O = CAS Reg. No. 15520-32-8

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	162. ± 4.2	kJ/mol	N/A	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	15. ± 9.2	kJ/mol	Ther	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B

+ Acetone = ( • Acetone )

By formula: C₅H₅^- + C₃H₆O = (C₅H₅^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.5 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	91.2	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	29. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

+ Acetone = ( • Acetone )

By formula: C₄H₄N^- + C₃H₆O = (C₄H₄N^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.8 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	85.8	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	29. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (K⁺ • 2C₃H₆O) + C₃H₆O = (K⁺ • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	67.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
38.	293.	ES/HPMS	Blades, Klassen, et al., 1995	gas phase; M

(C₃H₇O⁺ • 2 Acetone ) + Acetone = (C₃H₇O⁺ • 3 Acetone )

By formula: (C₃H₇O⁺ • 2C₃H₆O) + C₃H₆O = (C₃H₇O⁺ • 3C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.	kJ/mol	PHPMS	Hiraoka, Takimoto, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.1	J/mol*K	PHPMS	Hiraoka, Takimoto, et al., 1986	gas phase; M

(C₃H₇O⁺ • Acetone ) + Acetone = (C₃H₇O⁺ • 2 Acetone )

By formula: (C₃H₇O⁺ • C₃H₆O) + C₃H₆O = (C₃H₇O⁺ • 2C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.0	kJ/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.2	J/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (C₂H₃O₂^- • C₃H₆O) + C₃H₆O = (C₂H₃O₂^- • 2C₃H₆O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.2	kJ/mol	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	74.9	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M

CH₆N⁺ + Acetone = (CH₆N⁺ • Acetone )

By formula: CH₆N⁺ + C₃H₆O = (CH₆N⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	100.	kJ/mol	PHPMS	Meot-Ner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	97.1	J/mol*K	PHPMS	Meot-Ner, 1984	gas phase; M

C₃H₅O^- + Acetone = (C₃H₅O^- • Acetone )

By formula: C₃H₅O^- + C₃H₆O = (C₃H₅O^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>108.4	kJ/mol	IMRB	Sheldon and Bowie, 1983	gas phase; MeOH..F- + Me2CO ->; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	>82.42	kJ/mol	IMRB	Sheldon and Bowie, 1983	gas phase; MeOH..F- + Me2CO ->; B

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (Al⁺ • C₃H₆O) + C₃H₆O = (Al⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	118.	kJ/mol	HPMS	Bauschlicher, Bouchard, et al., 1991	gas phase; laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	HPMS	Bauschlicher, Bouchard, et al., 1991	gas phase; laser desorption; M

+ Acetone = ( • Acetone )

By formula: NO^- + C₃H₆O = (NO^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	172.	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

+ Acetone = ( • Acetone )

By formula: K⁺ + C₃H₆O = (K⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	102.	kJ/mol	CIDT	Klassen, Anderson, et al., 1996	RCD
Δ_rH°	110.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (Na⁺ • 2C₃H₆O) + C₃H₆O = (Na⁺ • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	86.6 ± 0.8	kJ/mol	HPMS	Guo, Conklin, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	126.	J/mol*K	HPMS	Guo, Conklin, et al., 1989	gas phase; M

( • 3 Acetone ) + Acetone = ( • 4 Acetone )

By formula: (Na⁺ • 3C₃H₆O) + C₃H₆O = (Na⁺ • 4C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.5 ± 0.8	kJ/mol	HPMS	Guo, Conklin, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	114.	J/mol*K	HPMS	Guo, Conklin, et al., 1989	gas phase; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (Na⁺ • C₃H₆O) + C₃H₆O = (Na⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	105. ± 0.4	kJ/mol	HPMS	Guo, Conklin, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	HPMS	Guo, Conklin, et al., 1989	gas phase; M

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (H₄N⁺ • 2C₃H₆O) + C₃H₆O = (H₄N⁺ • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.1	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M

( • 3 Acetone ) + Acetone = ( • 4 Acetone )

By formula: (H₄N⁺ • 3C₃H₆O) + C₃H₆O = (H₄N⁺ • 4C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.8	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	102.	J/mol*K	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (H₄N⁺ • C₃H₆O) + C₃H₆O = (H₄N⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	84.9	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	104.	J/mol*K	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (C₄H₄N^- • C₃H₆O) + C₃H₆O = (C₄H₄N^- • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.8	kJ/mol	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.5	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (C₅H₅^- • C₃H₆O) + C₃H₆O = (C₅H₅^- • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.	kJ/mol	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	68.6	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M

+ Acetone = ( • Acetone )

By formula: H₄N⁺ + C₃H₆O = (H₄N⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	118.	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M

+ Acetone = ( • Acetone )

By formula: Li⁺ + C₃H₆O = (Li⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	186.	kJ/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

C₂H₇OS⁺ + Acetone = (C₂H₇OS⁺ • Acetone )

By formula: C₂H₇OS⁺ + C₃H₆O = (C₂H₇OS⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	101.	kJ/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Lau, Saluja, et al., 1980	gas phase; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (K⁺ • C₃H₆O) + C₃H₆O = (K⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	88.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

= + Acetone

By formula: C₃H₈O = H₂ + C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	55.23	kJ/mol	Eqk	Buckley and Herington, 1965	gas phase; ALS
Δ_rH°	56.543	kJ/mol	Eqk	Kolb and Burwell, 1945	gas phase; ALS

+ Acetone = ( • Acetone )

By formula: Mg⁺ + C₃H₆O = (Mg⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	280. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ = Acetone +

By formula: HBr + C₃H₅BrO = C₃H₆O + Br₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.1 ± 8.4	kJ/mol	Eqk	King, Golden, et al., 1971	gas phase; Heat of bromination at 516-618 K; ALS

+ Acetone =

By formula: C₂H₂Cl₂OS + C₃H₆O = C₅H₈Cl₂O₂S

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27. ± 0.4	kJ/mol	Eqk	Horii, Kawamura, et al., 1972	liquid phase; solvent: CD3COCD3; NMR; ALS

+ Acetone =

By formula: C₂H₄OS + C₃H₆O = C₅H₁₀O₂S

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27. ± 0.8	kJ/mol	Eqk	Horii, Kawamura, et al., 1972	liquid phase; solvent: CD3COCD3; NMR; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, 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
MM - Michael M. Meot-Ner (Mautner)
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 C₃H₆O⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.703 ± 0.006	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	812.	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	782.1	kJ/mol	N/A	Hunter and Lias, 1998	HL

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.00152	EFD	Desfrancois, Abdoul-Carime, et al., 1994	EA: 1.5 meV. Dipole-bound state.; B

Proton affinity at 298K

Proton affinity (kJ/mol)	Reference	Comment
>815.2	Bouchoux, Buisson, et al., 2003	MM
>814.3	Bouchoux, Buisson, et al., 2003	MM
>812.6 ± 0.2	Bouchoux, Buisson, et al., 2003	MM
811.5 ± 3.4	Bouchoux and Salpin, 1999	T = 301K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM
811.5 ± 3.4	Bouchoux and Salpin, 1999	T = 298K; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol)	Reference	Comment
784.7	Bouchoux, Buisson, et al., 2003	MM
782.2	Bouchoux, Buisson, et al., 2003	MM
782.0 ± 0.2	Bouchoux, Buisson, et al., 2003	MM
782.1 ± 1.5	Bouchoux and Salpin, 1999	T = 301K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM
782.1 ± 1.5	Bouchoux and Salpin, 1999	T = 298K; MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.70	PI	Traeger, McLouglin, et al., 1982	LBLHLM
9.694 ± 0.006	PI	Trott, Blais, et al., 1978	LLK
9.68	PI	Staley, Wieting, et al., 1977	LLK
9.709 ± 0.005	PE	Hernandez, Masclet, et al., 1977	LLK
9.71 ± 0.03	EI	Mouvier and Hernandez, 1975	LLK
9.71 ± 0.01	PE	Mouvier and Hernandez, 1975	LLK
9.71	PE	Tam, Yee, et al., 1974	LLK
9.71	S	Ogata, Kitayama, et al., 1974	LLK
9.700 ± 0.001	PI	Knowles and Nicholson, 1974	LLK
9.705	S	Huebner, Celotta, et al., 1973	LLK
9.71 ± 0.01	PI	Potapov and Sorokin, 1972	LLK
9.75 ± 0.025	PE	Johnstone and Mellon, 1972	LLK
9.72	PE	Brundle, Robin, et al., 1972	LLK
9.74	EI	Johnstone, Mellon, et al., 1971	LLK
9.71 ± 0.01	PE	Cocksey, Eland, et al., 1971	LLK
9.74 ± 0.03	EI	Johnstone, Mellon, et al., 1970	RDSH
9.68	PE	Dewar and Worley, 1969	RDSH
9.71 ± 0.01	PI	Potapov, Filyugina, et al., 1968	RDSH
9.7 ± 0.1	EI	Dorman, 1965	RDSH
9.68 ± 0.02	PI	Murad and Inghram, 1964	RDSH
9.67	PE	Al-Joboury and Turner, 1964	RDSH
9.71 ± 0.03	PI	Vilesov, 1960	RDSH
9.71 ± 0.03	PI	Vilesov and Terenin, 1957	RDSH
9.69 ± 0.01	PI	Watanabe, 1954	RDSH
9.705	S	Watanabe, 1954	RDSH
9.8	PE	Bieri, Asbrink, et al., 1982	Vertical value; LBLHLM
9.72	PE	Kobayashi, 1978	Vertical value; LLK
9.68	PE	Benoit and Harrison, 1977	Vertical value; LLK
9.71 ± 0.02	PE	Young and Cheng, 1976	Vertical value; LLK
9.5	PE	Rao, 1975	Vertical value; LLK
9.70	PE	Kimura, Katsumata, et al., 1975	Vertical value; LLK
9.709	PE	Aue, Webb, et al., 1975	Vertical value; LLK
9.71	PE	Kelder, Cerfontain, et al., 1974	Vertical value; LLK
9.72	PE	Hentrich, Gunkel, et al., 1974	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	15.61	?	PE	Powis and Danby, 1979	LLK
CH₃⁺	15.2	?	EI	Majer, Olavesen, et al., 1971	LLK
CH₃⁺	14.93	?	EI	Potzinger and Bunau, 1969	RDSH
CH₃⁺	15.36	?	EI	Haney and Franklin, 1969	RDSH
C₂H₂O⁺	10.7 ± 0.1	CH₄	EI	Shigorin, Filyugina, et al., 1966	RDSH
C₂H₃⁺	16.9	?	EI	Kanomata, 1961	RDSH
C₂H₃O⁺	10.38	CH₃	PI	Traeger, McLouglin, et al., 1982	LBLHLM
C₂H₃O⁺	12.22	CH₃	PE	Powis and Danby, 1979	LLK
C₂H₃O⁺	10.52 ± 0.02	CH₃	PI	Trott, Blais, et al., 1978	LLK
C₂H₃O⁺	10.36	CH₃	PI	Staley, Wieting, et al., 1977	LLK
C₂H₃O⁺	10.30	CH₃	EI	Mouvier and Hernandez, 1975	LLK
C₂H₃O⁺	10.42 ± 0.03	CH₃	PI	Potapov and Sorokin, 1972	LLK
C₂H₃O⁺	10.28 ± 0.05	CH₃	EI	Johnstone and Mellon, 1972	LLK
C₂H₃O⁺	11.3	CH₃	EI	Majer, Olavesen, et al., 1971	LLK
C₂H₃O⁺	10.28	CH₃	EI	Johnstone, Mellon, et al., 1970	RDSH
C₂H₃O⁺	10.42	CH₃	PI	Potapov, Filyugina, et al., 1968	RDSH
C₂H₃O⁺	10.2 ± 0.1	CH₃	EI	Dorman, 1965	RDSH
C₂H₃O⁺	10.37	CH₃	PI	Murad and Inghram, 1964, 2	RDSH
C₃H₄O⁺	15.2 ± 0.15	H₂	EI	Shigorin, Filyugina, et al., 1966	RDSH
C₃H₅O⁺	13.1 ± 0.2	H	EI	Potapov and Shigorin, 1966	RDSH

De-protonation reactions

C₃H₅O^- + = Acetone

By formula: C₃H₅O^- + H⁺ = C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1543. ± 8.8	kJ/mol	D-EA	Brinkman, Berger, et al., 1993	gas phase; B
Δ_rH°	1544. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1546. ± 11.	kJ/mol	G+TS	Cumming and Kebarle, 1978	gas phase; B
Δ_rH°	1538. ± 7.5	kJ/mol	EIAE	Muftakhov, Vasil'ev, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1514. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1516. ± 8.4	kJ/mol	IMRE	Cumming and Kebarle, 1978	gas phase; B

Ion clustering data

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

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

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

+ Acetone = ( • Acetone )

By formula: Ag⁺ + C₃H₆O = (Ag⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	160. ± 19.	kJ/mol	RAK	Ho, Yang, et al., 1997	RCD

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (Al⁺ • C₃H₆O) + C₃H₆O = (Al⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	118.	kJ/mol	HPMS	Bauschlicher, Bouchard, et al., 1991	gas phase; laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	HPMS	Bauschlicher, Bouchard, et al., 1991	gas phase; laser desorption; M

CH₆N⁺ + Acetone = (CH₆N⁺ • Acetone )

By formula: CH₆N⁺ + C₃H₆O = (CH₆N⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	100.	kJ/mol	PHPMS	Meot-Ner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	97.1	J/mol*K	PHPMS	Meot-Ner, 1984	gas phase; M

CN^- + Acetone = (CN^- • Acetone )

By formula: CN^- + C₃H₆O = (CN^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62. ± 15.	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	94.1	J/mol*K	N/A	Larson and McMahon, 1987	gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33. ± 9.6	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M

C₂H₃O⁺ + Acetone = (C₂H₃O⁺ • Acetone )

By formula: C₂H₃O⁺ + C₃H₆O = (C₂H₃O⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.3	kJ/mol	PI	Trott, Blais, et al., 1978	gas phase; M

+ Acetone = ( • Acetone )

By formula: C₂H₃O₂^- + C₃H₆O = (C₂H₃O₂^- • C₃H₆O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	65.7 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	91.6	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	38. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988	gas phase; B

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (C₂H₃O₂^- • C₃H₆O) + C₃H₆O = (C₂H₃O₂^- • 2C₃H₆O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.2	kJ/mol	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	74.9	J/mol*K	PHPMS	Meot-ner, 1988	gas phase; M

C₂H₇OS⁺ + Acetone = (C₂H₇OS⁺ • Acetone )

By formula: C₂H₇OS⁺ + C₃H₆O = (C₂H₇OS⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	101.	kJ/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Lau, Saluja, et al., 1980	gas phase; M

C₃H₅O⁺ + Acetone = (C₃H₅O⁺ • Acetone )

By formula: C₃H₅O⁺ + C₃H₆O = (C₃H₅O⁺ • C₃H₆O)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
35.	295.	FA	Mackay, Rakshit, et al., 1982	gas phase; M

C₃H₅O^- + Acetone = (C₃H₅O^- • Acetone )

By formula: C₃H₅O^- + C₃H₆O = (C₃H₅O^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>108.4	kJ/mol	IMRB	Sheldon and Bowie, 1983	gas phase; MeOH..F- + Me2CO ->; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	>82.42	kJ/mol	IMRB	Sheldon and Bowie, 1983	gas phase; MeOH..F- + Me2CO ->; B

C₃H₆O⁺ + Acetone = (C₃H₆O⁺ • Acetone )

By formula: C₃H₆O⁺ + C₃H₆O = (C₃H₆O⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.9	kJ/mol	PI	Trott, Blais, et al., 1978	gas phase; Δ_rH>; M

C₃H₇O⁺ + Acetone = (C₃H₇O⁺ • Acetone )

By formula: C₃H₇O⁺ + C₃H₆O = (C₃H₇O⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	128.	kJ/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; M
Δ_rH°	126.	kJ/mol	PHPMS	Szulejko and McMahon, 1991	gas phase; M
Δ_rH°	124.	kJ/mol	PHPMS	Hiraoka and Takimoto, 1986	gas phase; M
Δ_rH°	132.	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
Δ_rH°	126.	kJ/mol	PHPMS	Lau, Saluja, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; M
Δ_rS°	128.	J/mol*K	PHPMS	Szulejko and McMahon, 1991	gas phase; M
Δ_rS°	123.	J/mol*K	PHPMS	Hiraoka and Takimoto, 1986	gas phase; M
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
Δ_rS°	127.	J/mol*K	PHPMS	Lau, Saluja, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	93.3	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

(C₃H₇O⁺ • Acetone ) + Acetone = (C₃H₇O⁺ • 2 Acetone )

By formula: (C₃H₇O⁺ • C₃H₆O) + C₃H₆O = (C₃H₇O⁺ • 2C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.0	kJ/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.2	J/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₇O⁺ • 2 Acetone ) + Acetone = (C₃H₇O⁺ • 3 Acetone )

By formula: (C₃H₇O⁺ • 2C₃H₆O) + C₃H₆O = (C₃H₇O⁺ • 3C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.	kJ/mol	PHPMS	Hiraoka, Takimoto, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.1	J/mol*K	PHPMS	Hiraoka, Takimoto, et al., 1986	gas phase; M

C₃H₇O₂⁺ + Acetone = (C₃H₇O₂⁺ • Acetone )

By formula: C₃H₇O₂⁺ + C₃H₆O = (C₃H₇O₂⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	126.	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°	121.	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°	89.5	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

C₃H₉Si⁺ + Acetone = (C₃H₉Si⁺ • Acetone )

By formula: C₃H₉Si⁺ + C₃H₆O = (C₃H₉Si⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	188.	kJ/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	123.	J/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
131.	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

C₃H₉Sn⁺ + Acetone = (C₃H₉Sn⁺ • Acetone )

By formula: C₃H₉Sn⁺ + C₃H₆O = (C₃H₉Sn⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	156.	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°	129.	J/mol*K	N/A	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	88.7	kJ/mol	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

+ Acetone = ( • Acetone )

By formula: C₄H₄N^- + C₃H₆O = (C₄H₄N^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.8 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	85.8	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	29. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (C₄H₄N^- • C₃H₆O) + C₃H₆O = (C₄H₄N^- • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.8	kJ/mol	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.5	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M

C₄H₉O⁺ + Acetone = (C₄H₉O⁺ • Acetone )

By formula: C₄H₉O⁺ + C₃H₆O = (C₄H₉O⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130.	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°	128.	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°	91.6	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

C₄H₉O⁺ + Acetone = (C₄H₉O⁺ • Acetone )

By formula: C₄H₉O⁺ + C₃H₆O = (C₄H₉O⁺ • C₃H₆O)

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°	122.	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

+ Acetone = ( • Acetone )

By formula: C₅H₅^- + C₃H₆O = (C₅H₅^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.5 ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	91.2	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	29. ± 4.2	kJ/mol	TDAs	Meot-ner, 1988, 2	gas phase; B

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (C₅H₅^- • C₃H₆O) + C₃H₆O = (C₅H₅^- • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.	kJ/mol	PHPMS	Meot-ner, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	68.6	J/mol*K	PHPMS	Meot-ner, 1988, 2	gas phase; M

C₅H₁₁O⁺ + Acetone = (C₅H₁₁O⁺ • Acetone )

By formula: C₅H₁₁O⁺ + C₃H₆O = (C₅H₁₁O⁺ • C₃H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	119.	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°	121.	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°	83.3	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

C₆H₅NO₂^- + Acetone = (C₆H₅NO₂^- • Acetone )

By formula: C₆H₅NO₂^- + C₃H₆O = (C₆H₅NO₂^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.41 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.8 ± 1.7	kJ/mol	TDAs	Sieck, 1985	gas phase; B

+ Acetone = ( • Acetone )

By formula: Cl^- + C₃H₆O = (Cl^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56. ± 6.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	76.1	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Δ_rS°	82.0	J/mol*K	PHPMS	French, Ikuta, et al., 1982	gas phase; M
Δ_rS°	71.5	J/mol*K	PHPMS	Hiraoka, Takimoto, et al., 1986	gas phase; M
Δ_rS°	82.4	J/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33.8 ± 0.84	kJ/mol	TDAs	Bofdanov and McMahon, 2002	gas phase; B
Δ_rG°	30.5	kJ/mol	TDAs	Hiraoka, Morise, et al., 1986	gas phase; B
Δ_rG°	36.8 ± 1.3	kJ/mol	TDAs	Sieck, 1985	gas phase; B
Δ_rG°	34. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984, 2	gas phase; B,M
Δ_rG°	33. ± 8.4	kJ/mol	TDAs	French, Ikuta, et al., 1982	gas phase; B

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (Cl^- • C₃H₆O) + C₃H₆O = (Cl^- • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.1 ± 4.2	kJ/mol	TDAs	Hiraoka, Takimoto, et al., 1986	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.9	J/mol*K	PHPMS	Hiraoka, Takimoto, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23. ± 9.2	kJ/mol	TDAs	Hiraoka, Takimoto, et al., 1986	gas phase; B

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (Cl^- • 2C₃H₆O) + C₃H₆O = (Cl^- • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43.5 ± 8.4	kJ/mol	TDAs	Hiraoka, Takimoto, et al., 1986	gas phase; Entropy estimated; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.	J/mol*K	N/A	Hiraoka, Takimoto, et al., 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	16. ± 19.	kJ/mol	TDAs	Hiraoka, Takimoto, et al., 1986	gas phase; Entropy estimated; B

+ Acetone = ( • Acetone )

By formula: Cr⁺ + C₃H₆O = (Cr⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	175. ± 14.	kJ/mol	RAK	Lin, Chen, et al., 1997	RCD

+ Acetone = ( • Acetone )

By formula: Cu⁺ + C₃H₆O = (Cu⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	199. ± 4.2	kJ/mol	CIDT	Chu, 2002	RCD
Δ_rH°	62.3	kJ/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	31.	kJ/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (Cu⁺ • C₃H₆O) + C₃H₆O = (Cu⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	210. ± 7.1	kJ/mol	CIDT	Chu, 2002	RCD
Δ_rH°	64.9	kJ/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	33.	kJ/mol	HPMS	El-Shall, Schriver, et al., 1989	gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (Cu⁺ • 2C₃H₆O) + C₃H₆O = (Cu⁺ • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64. ± 2.	kJ/mol	CIDT	Chu, 2002	RCD

( • 3 Acetone ) + Acetone = ( • 4 Acetone )

By formula: (Cu⁺ • 3C₃H₆O) + C₃H₆O = (Cu⁺ • 4C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.1 ± 5.0	kJ/mol	CIDT	Chu, 2002	RCD

+ Acetone = ( • Acetone )

By formula: H₄N⁺ + C₃H₆O = (H₄N⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	118.	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (H₄N⁺ • C₃H₆O) + C₃H₆O = (H₄N⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	84.9	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	104.	J/mol*K	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (H₄N⁺ • 2C₃H₆O) + C₃H₆O = (H₄N⁺ • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.1	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M

( • 3 Acetone ) + Acetone = ( • 4 Acetone )

By formula: (H₄N⁺ • 3C₃H₆O) + C₃H₆O = (H₄N⁺ • 4C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.8	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	102.	J/mol*K	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; M

( • 4 Acetone ) + Acetone = ( • 5 Acetone )

By formula: (H₄N⁺ • 4C₃H₆O) + C₃H₆O = (H₄N⁺ • 5C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	42.3	kJ/mol	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
19.	215.	PHPMS	Meot-Ner (Mautner), Sieck, et al., 1996	gas phase; Entropy change calculated or estimated; M

+ Acetone = ( • Acetone )

By formula: I^- + C₃H₆O = (I^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.2 ± 4.2	kJ/mol	TDAs	Caldwell, Masucci, et al., 1989	gas phase; B,M

+ Acetone = ( • Acetone )

By formula: K⁺ + C₃H₆O = (K⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	102.	kJ/mol	CIDT	Klassen, Anderson, et al., 1996	RCD
Δ_rH°	110.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (K⁺ • C₃H₆O) + C₃H₆O = (K⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	88.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (K⁺ • 2C₃H₆O) + C₃H₆O = (K⁺ • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	67.	kJ/mol	HPMS	Sunner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	HPMS	Sunner, 1984	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
38.	293.	ES/HPMS	Blades, Klassen, et al., 1995	gas phase; M

( • 3 Acetone ) + Acetone = ( • 4 Acetone )

By formula: (K⁺ • 3C₃H₆O) + C₃H₆O = (K⁺ • 4C₃H₆O)

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
25.	293.	ES/HPMS	Blades, Klassen, et al., 1995	gas phase; M

+ Acetone = ( • Acetone )

By formula: Li⁺ + C₃H₆O = (Li⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	186.	kJ/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

+ Acetone = ( • Acetone )

By formula: Mg⁺ + C₃H₆O = (Mg⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	280. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ Acetone = ( • Acetone )

By formula: Mn⁺ + C₃H₆O = (Mn⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	159. ± 14.	kJ/mol	RAK	Lin, Chen, et al., 1997	RCD

+ Acetone = ( • Acetone )

By formula: NO^- + C₃H₆O = (NO^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	172.	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

+ Acetone = ( • Acetone )

By formula: NO₂^- + C₃H₆O = (NO₂^- • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.53 ± 0.42	kJ/mol	TDAs	Sieck, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	108.	J/mol*K	PHPMS	Sieck, 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34.3 ± 0.84	kJ/mol	TDAs	Sieck, 1985	gas phase; B

+ Acetone = ( • Acetone )

By formula: Na⁺ + C₃H₆O = (Na⁺ • C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	131. ± 4.2	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	129. ± 2.	kJ/mol	HPMS	Hoyau, Norrman, et al., 1999	See 96KLA/AND?; RCD
Δ_rH°	102.	kJ/mol	CIDT	Klassen, Anderson, et al., 1996	RCD
Δ_rH°	140. ± 0.8	kJ/mol	HPMS	Guo, Conklin, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	87900.	J/mol*K	HPMS	Hoyau, Norrman, et al., 1999	See 96KLA/AND?; RCD
Δ_rS°	109.	J/mol*K	HPMS	Guo, Conklin, et al., 1989	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
101.	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • Acetone ) + Acetone = ( • 2 Acetone )

By formula: (Na⁺ • C₃H₆O) + C₃H₆O = (Na⁺ • 2C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	105. ± 0.4	kJ/mol	HPMS	Guo, Conklin, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	HPMS	Guo, Conklin, et al., 1989	gas phase; M

( • 2 Acetone ) + Acetone = ( • 3 Acetone )

By formula: (Na⁺ • 2C₃H₆O) + C₃H₆O = (Na⁺ • 3C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	86.6 ± 0.8	kJ/mol	HPMS	Guo, Conklin, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	126.	J/mol*K	HPMS	Guo, Conklin, et al., 1989	gas phase; M

( • 3 Acetone ) + Acetone = ( • 4 Acetone )

By formula: (Na⁺ • 3C₃H₆O) + C₃H₆O = (Na⁺ • 4C₃H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.5 ± 0.8	kJ/mol	HPMS	Guo, Conklin, et al., 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	114.	J/mol*K	HPMS	Guo, Conklin, et al., 1989	gas phase; M

Gas Chromatography

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

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	HP-1	110.	470.23	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	20.	470.9	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	30.	470.7	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	40.	470.1	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	50.	469.67	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	60.	469.5	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	70.	469.28	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	90.	469.41	Héberger, Görgényi, et al., 2002	50. m/0.32 mm/1.05 μm
Capillary	HP-1	110.	470.	Héberger and Görgényi, 1999	50. m/0.32 mm/1.05 μm, N2
Capillary	HP-1	50.	470.	Héberger and Görgényi, 1999	50. m/0.32 mm/1.05 μm, N2
Capillary	HP-1	70.	469.	Héberger and Görgényi, 1999	50. m/0.32 mm/1.05 μm, N2
Capillary	HP-1	90.	469.	Héberger and Görgényi, 1999	50. m/0.32 mm/1.05 μm, N2
Capillary	SE-30	100.	481.	Golovnya, Syomina, et al., 1997	25. m/0.32 mm/1. μm, He
Capillary	SE-30	110.	484.	Golovnya, Syomina, et al., 1997	25. m/0.32 mm/1. μm, He
Capillary	SE-30	80.	477.	Golovnya, Syomina, et al., 1997	25. m/0.32 mm/1. μm, He
Capillary	SE-30	90.	478.	Golovnya, Syomina, et al., 1997	25. m/0.32 mm/1. μm, He
Capillary	SE-54	110.	488.7	Grigor'eva, Vasil'ev, et al., 1989	15. m/0.28 mm/2.5 μm, Ar
Capillary	SE-54	130.	488.2	Grigor'eva, Vasil'ev, et al., 1989	15. m/0.28 mm/2.5 μm, Ar
Capillary	SE-54	150.	485.0	Grigor'eva, Vasil'ev, et al., 1989	15. m/0.28 mm/2.5 μm, Ar
Capillary	Apiezon L + KF	60.	497.	Svetlova, Samusenko, et al., 1986	30. m/0.25 mm/0.06 μm
Packed	SE-30	100.	475.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Packed	Squalane	50.	437.	Becerra, Sánchez, et al., 1982	N2, Chromosorb W-AM; Column length: 6. m
Packed	Squalane	50.	437.	Becerra, Sánchez, et al., 1982	N2, Chromosorb W-AM; Column length: 6. m
Packed	Porapack Q	200.	450.	Goebel, 1982	N2
Packed	Squalane	100.	443.5	Gröbler and Bálizs, 1979	Column length: 1. m
Packed	SE-30	150.	465.	Haken, Nguyen, et al., 1979	Celatom AW silanized; Column length: 3.7 m
Packed	Apiezon L	120.	441.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	160.	444.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	70.	439.	Bogoslovsky, Anvaer, et al., 1978
Packed	SE-30	150.	459.	Haken, Ho, et al., 1975	Column length: 3.7 m
Packed	Apiezon L	100.	443.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	DC-200	100.	472.	Rohrschneider, 1966	Column length: 4. m
Packed	Apiezon L	100.	450.	Rohrschneider, 1966	Column length: 5. m
Packed	SE-30	80.	475.	Viani, Müggler-Chavan, et al., 1965	He, Chromosorb P; Column length: 6. m
Packed	Apiezon L	130.	450.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m
Packed	Apiezon L	70.	447.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m
Packed	Apiezon L	70.	439.	von Kováts, 1958	Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SE-54	503.	Rembold, Wallner, et al., 1989	30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; T_end: 250. C

Kovats' RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH-100	477.55	Haagen-Smit Laboratory, 1997	He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
Packed	SE-30	510.	Minyard, Tumlinson, et al., 1967	He, Chromasorb W; Column length: 6.1 m; Program: 150C (10min) => 15C/min => 200C(16min) => 10C/min => 240C
Packed	Apiezon L	470.	Minyard, Tumlinson, et al., 1967	N2, Gas Chrom P; Column length: 3.0 m; Program: not specified

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	HP-Innowax	110.	843.5	Héberger and Görgényi, 1999	30. m/0.32 mm/0.5 μm
Capillary	HP-Innowax	50.	835.0	Héberger and Görgényi, 1999	30. m/0.32 mm/0.5 μm
Capillary	HP-Innowax	70.	837.5	Héberger and Görgényi, 1999	30. m/0.32 mm/0.5 μm
Capillary	HP-Innowax	90.	840.8	Héberger and Görgényi, 1999	30. m/0.32 mm/0.5 μm
Capillary	Supelcowax-10	60.	832.	Castello, Vezzani, et al., 1991	N2; Column length: 60. m; Column diameter: 0.75 mm
Packed	Carbowax 20M	75.	847.	Goebel, 1982	N2, Kieselgur (60-100 mesh); Column length: 2. m
Packed	Carbowax 20M	100.	785.	Kevei and Kozma, 1976	Chromosorb
Packed	Carbowax 4000	105.	842.	Minyard, Tumlinson, et al., 1967	N2, GAS Chrom P; Column length: 10. m
Packed	Carbowax 20M	100.	824.	Rohrschneider, 1966	Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CBP-20	821.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C
Capillary	DB-Wax	813.	Umano, Hagi, et al., 1994	He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	DB-Wax	814.	Tatsuka, Suekane, et al., 1990	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; T_end: 200. C
Capillary	DB-Wax	814.	Tatsuka, Suekane, et al., 1990	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; T_end: 200. C
Capillary	DB-Wax	814.	Tatsuka, Suekane, et al., 1990	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; T_end: 200. C
Capillary	Carbowax 20M	820.	Nishimura, Yamaguchi, et al., 1989	2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	DB-Wax	818.	Umano, Shoji, et al., 1986	N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 200. C

Kovats' RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	PEG-20M	794.	Slizhov and Gavrilenko, 2001	He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	503.	Insausti, Goñi, et al., 2005	50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
Capillary	CP-Sil 8CB-MS	500.	Bruna, Hierro, et al., 2003	60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
Capillary	Petrocol DH	475.3	Censullo, Jones, et al., 2003	50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
Capillary	CP Sil 5 CB	481.	Pino, Almora, et al., 2003	60. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
Capillary	CP Sil 5 CB	481.	Pino, Marbot, et al., 2002	30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min
Capillary	CP Sil 8 CB	500.	Elmore, Mottram, et al., 2000	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; T_end: 280. C
Capillary	DB-1	488.6	Helmig, Klinger, et al., 1999	60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; T_end: 175. C
Capillary	DB-1	471.	Bartelt, 1997	30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; T_end: 270. C
Capillary	DB-1	474.	Helmig, Pollock, et al., 1996	30. m/0.25 mm/1. μm, 6. K/min; T_start: -50. C; T_end: 180. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	468.	Place, Imhof, et al., 2003	60. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min)
Packed	SE-30	466.	Peng, Ding, et al., 1988	Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	809.	Mahattanatawee K., Perez-Cacho P.R., et al., 2007	30. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; T_start: 40. C
Capillary	CP-Wax 52CB	813.	Alasalvar, Taylor, et al., 2005	60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; T_end: 203. C
Capillary	DB-Wax	834.	Malliaa, Fernandez-Garcia, et al., 2005	60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
Capillary	DB-Wax	842.	Malliaa, Fernandez-Garcia, et al., 2005	60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
Capillary	DB-Wax	814.	Rega, Fournier, et al., 2004	30. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min; T_end: 240. C
Capillary	Carbowax	821.3	Censullo, Jones, et al., 2003	60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
Capillary	DB-Wax	814.	Rega, Fournier, et al., 2003	30. m/0.32 mm/0.5 μm, 35. C @ 5. min, 5. K/min, 240. C @ 5. min
Capillary	FFAP	802.	Ott, Fay, et al., 1997	30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
Capillary	Supelcowax-10	813.	Chung and Cadwallader, 1993	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
Capillary	DB-Wax	818.	Umano, Hagi, et al., 1992	He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	Carbowax 20M	811.	Chen and Ho, 1988	He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	Carbowax 20M	816.	Chen, Kuo, et al., 1982	He, 50. C @ 10. min, 1. K/min; T_end: 160. C
Packed	Carbowax 20M	822.	van den Dool and Kratz, 1963	Celite 545, 4.6 K/min; T_start: 75. C; T_end: 228. C

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	813.	Bianchi, Cantoni, et al., 2007	30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
Capillary	Supelcowax-10	814.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	819.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	813.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	812.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	CP-Wax 52CB	830.	Verzera, Ziino, et al., 2004	60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
Capillary	DB-Wax	808.	Radovic, Careri, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	FFAP	808.	Yasuhara, 1987	50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	100.	471.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	480.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	140.	472.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	80.	473.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	DB-1	60.	472.	Shimadzu, 2003, 2	60. m/0.32 mm/1. μm, He
Capillary	OV-1	60.	470.	Amboni, Junkes, et al., 2002
Packed	Synachrom	150.	466.	Dufka, Malinsky, et al., 1971	Helium, Synachrom (60-80 mesh); Column length: 1.5 m
Packed	Synachrom	150.	468.	Dufka, Malinsky, et al., 1971	Helium, Synachrom (60-80 mesh); Column length: 1.5 m
Packed	DC-400	150.	466.	Anderson, 1968	Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane: CP-Sil 5 CB	479.	Bramston-Cook, 2013	60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
Capillary	HP-5 MS	500.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
Capillary	VF-5 MS	496.	Leffingwell and Alford, 2011	60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; T_start: 30. C
Capillary	VF-5 MS	496.	Leffingwell and Alford, 2011	60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; T_start: 30. C
Capillary	OV-101	472.	Zenkevich, Eliseenkov, et al., 2011	25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; T_start: 40. C; T_end: 240. C
Capillary	5 % Phenyl methyl siloxane	502.	Ramirez R. and Cava R., 2007	30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
Capillary	5 % Phenyl methyl siloxane	502.	Ramirez R. and Cava R., 2007	30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
Capillary	HP-5	487.	Isidorov, Purzynska, et al., 2006	30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; T_end: 200. C
Capillary	HP-5	476.6	Leffingwell and Alford, 2005	60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
Capillary	5 % Phenyl methyl siloxane	503.	Ramírez, Estévez, et al., 2004	0. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
Capillary	DB-5	500.	Joffraud, Leroi, et al., 2001	60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; T_end: 200. C
Capillary	BP-1	487.	Health Safety Executive, 2000	50. m/0.22 mm/0.75 μm, He, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	SE-30+Igepal	474.	Shibamoto and Jennings, 1977	1. K/min; Column length: 100. m; Column diameter: 0.25 mm; T_start: 70. C; T_end: 170. C
Capillary	SE-30+Igepal	474.	Shibamoto and Jennings, 1977	1. K/min; Column length: 100. m; Column diameter: 0.25 mm; T_start: 70. C; T_end: 170. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	500.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-5	509.	Miyazaki, Plotto, et al., 2011	60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
Capillary	HP-5	512.	Pugliese, Sirtori, et al., 2009	50. m/0.32 mm/1.05 μm, Helium; Program: not specified
Capillary	Squalane	459.	Chen, 2008	Program: not specified
Capillary	SLB-5MS	471.	Risticevic, Carasek, et al., 2008	10. m/0.18 mm/0.18 μm, Helium; Program: not specified
Capillary	Methyl Silicone	450.	Chen and Feng, 2007	Program: not specified
Capillary	Methyl Silicone	476.	Blunden, Aneja, et al., 2005	60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
Capillary	BPX-5	501.	Duflos, Moine, et al., 2005	60. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min)
Capillary	HP-1	470.	Junkes, Amboni, et al., 2004	Program: not specified
Capillary	Polydimethyl siloxane	470.	Junkes, Castanho, et al., 2003	Program: not specified
Capillary	Methyl Silicone	450.	N/A	Program: not specified
Capillary	Polydimethyl siloxane	497.	Spanier, Shahidi, et al., 2001	Program: not specified
Capillary	Polydimethyl siloxanes	472.	Zenkevich, 2001	Program: not specified
Capillary	DB-5	500.	Dittmann and Nitz, 2000	Program: not specified
Capillary	SPB-1	460.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	Polydimethyl siloxanes	473.	Zenkevich and Chupalov, 1996	Program: not specified
Capillary	Polydimethyl siloxanes	473.	Zenkevich and Chupalov, 1996	Program: not specified
Capillary	Methyl Silicone	473.	Zenkevich, Korolenko, et al., 1995	Program: not specified
Capillary	DB-1	465.	Schuberth, 1994	30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
Capillary	SPB-1	460.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	SPB-1	469.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	CP Sil 8 CB	491.	Weller and Wolf, 1989	40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
Capillary	methyl silicone oil with 5% Igepal	474.	Schultz, Flath, et al., 1988	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillary	methyl silicone oil with 5% Igepal	484.	Schultz, Flath, et al., 1988	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillary	DB-1	468.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	OV-1	469.	Ramsey and Flanagan, 1982	Program: not specified
Capillary	SE-30	478.	Heydanek and McGorrin, 1981	He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)

Normal alkane RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-Wax	60.	834.	Shimadzu, 2003, 2	50. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-FFAP	832.	Wanakhachornkrai and Lertsiri, 9999	25. m/0.32 mm/0.50 μm, Helium, 15. K/min; T_start: 45. C; T_end: 220. C
Capillary	HP-Innowax	841.	Feng, Zhuang, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min
Capillary	DB-Wax	821.	Ganeko, Shoda, et al., 2008	4. K/min; Column length: 60. m; Column diameter: 0.35 mm; T_start: 40. C; T_end: 200. C
Capillary	CP-Wax 52CB	812.	Povolo, Contarini, et al., 2007	60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
Capillary	CP-Wax 52CB	811.	Povolo, Contarini, et al., 2007	60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
Capillary	CP-Wax 52CB	823.	Povolo, Contarini, et al., 2007	60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
Capillary	CP-Wax 52CB	820.	Povolo, Contarini, et al., 2007	60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min
Capillary	DB-Wax	810.	Rizzolo, Cambiaghi, et al., 2005	60. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; T_end: 180. C
Capillary	Supelcowax-10	827.	Rochat and Chaintreau, 2005	60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
Capillary	Supelcowax-10	827.	Rochat and Chaintreau, 2005	60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
Capillary	Supelcowax-10	828.	Rochat and Chaintreau, 2005	60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min
Capillary	DB-Wax	825.	Chida, Sone, et al., 2004	60. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
Capillary	DB-Wax	811.	Tanaka, Yamauchi, et al., 2003	30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; T_end: 250. C
Capillary	DB-Wax	816.	Tanaka, Yamauchi, et al., 2003	30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; T_end: 250. C
Capillary	Supelcowax-10	820.	Vichi, Castellote, et al., 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; T_end: 200. C
Capillary	Supelcowax-10	816.	Vichi, Pizzale, et al., 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; T_end: 200. C
Capillary	HP-FFAP	832.	Wanakhachornkrai and Lertsiri, 2003	25. m/0.32 mm/0.5 μm, He, 15. K/min; T_start: 45. C; T_end: 220. C
Capillary	FFAP	814.	Lecanu, Ducruet, et al., 2002	30. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; T_end: 240. C
Capillary	DB-Wax	845.	Umano, Hagi, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; T_end: 200. C
Capillary	DB-Wax	798.	Duque, Bonilla, et al., 2001	30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; T_start: 25. C
Capillary	DB-Wax	825.	Wei, Mura, et al., 2001	60. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 200. C
Capillary	Supelcowax-10	814.	Girard and Durance, 2000	60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; T_end: 200. C
Capillary	DB-Wax	823.	Lee and Shibamoto, 2000	30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; T_start: 50. C
Capillary	DB-Wax	821.	Tamura, Boonbumrung, et al., 2000	Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	DB-Wax	846.	Umano, Hagi, et al., 2000	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; T_end: 200. C
Capillary	DB-Wax	805.	Iwatsuki, Mizota, et al., 1999	4. K/min; Column length: 30. m; Column diameter: 0.53 mm; T_start: 60. C; T_end: 210. C
Capillary	DB-Wax	820.	Umano, Nakahara, et al., 1999	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; T_end: 200. C
Capillary	Carbowax 20M	810.	Anker, Jurs, et al., 1990	2. K/min; Column length: 80. m; Column diameter: 0.2 mm; T_start: 70. C; T_end: 170. C
Capillary	Carbowax 20M	810.	Mihara, Tateba, et al., 1988	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	822.	Mihara, Tateba, et al., 1988	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	810.	Mihara, Tateba, et al., 1987	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	822.	Mihara, Tateba, et al., 1987	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	854.	Labropoulos, Palmer, et al., 1982	Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; T_start: 40. C; T_end: 200. C
Packed	Carbowax 20M	816.	Tsao, 1969	Helium, Chromosorb P HMDS, 5. K/min; Column length: 2. m; T_start: 40. C; T_end: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	800.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	818.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-Innowax	845.	Feng, Zhuang, et al., 2011	60. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	SOLGel-Wax	814.	Johanningsmeier and McFeeters, 2011	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
Capillary	SOLGel-Wax	814.	Johanningsmeier and McFeeters, 2011	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	775.	Miyazaki, Plotto, et al., 2011	60. m/0.25 mm/0.50 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
Capillary	CP-Wax 52 CB	821.	Povolo, Cabassi, et al., 2011	Program: not specified
Capillary	HP-Innowax	841.	Cajka, Riddellova, et al., 2010	30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min)
Capillary	DB-Wax	836.	Kadar, Juan-Borras, et al., 2010	60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min)
Capillary	Supelko CO Wax	816.	Vekiari, Orepoulou, et al., 2010	60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)
Capillary	Supelko CO Wax	813.	Vekiari, Orepoulou, et al., 2010	60. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	Supelcowax 10	815.	Soria, Martinez-Castro, et al., 2008	50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min)
Capillary	Supelcowax-10	814.	Berard, Bianchi, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	819.	Berard, Bianchi, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
Capillary	HP-Innowax	788.	Viegas and Bassoli, 2007	60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min)
Capillary	HP-Innowax	823.	Viegas and Bassoli, 2007	60. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	Supelcowax-10	847.	Kourkoutas, Kandylis, et al., 2006	60. m/0.32 mm/0.25 μm, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)
Capillary	Innowax	835.	Junkes, Amboni, et al., 2004	Program: not specified
Capillary	Carbowax 20M	810.	Vinogradov, 2004	Program: not specified
Capillary	CP-Wax 52CB	824.	Muresan, Eillebrecht, et al., 2000	50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)
Capillary	Supelcowax 10	815.	Castioni and Kapetanidis, 1996	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min)
Capillary	Supelcowax 10	820.	Castioni and Kapetanidis, 1996	60. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	Supelcowax 10	821.	Castioni and Kapetanidis, 1996	60. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	Polyethylene Glycol	820.	Zenkevich, Korolenko, et al., 1995	Program: not specified
Capillary	DB-Wax	816.	Peng, Yang, et al., 1991	Program: not specified
Capillary	Carbowax 20M	810.	Shibamoto, 1987	Program: not specified
Capillary	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	847.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 20M	819.	Ramsey and Flanagan, 1982	Program: not specified
Capillary	Polyethylene Glycol	810.	MacLeod and Pieris, 1981	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes

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Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
EA	Electron affinity
IE (evaluated)	Recommended ionization energy
T	Temperature
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
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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