Ethanol

Formula: C₂H₆O
Molecular weight: 46.0684
IUPAC Standard InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
IUPAC Standard InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
CAS Registry Number: 64-17-5
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:
Other names: Ethyl alcohol; Alcohol; Alcohol anhydrous; Algrain; Anhydrol; Denatured ethanol; Ethyl hydrate; Ethyl hydroxide; Jaysol; Jaysol S; Methylcarbinol; SD Alchol 23-hydrogen; Tecsol; C2H5OH; Absolute ethanol; Cologne spirit; Fermentation alcohol; Grain alcohol; Molasses alcohol; Potato alcohol; Aethanol; Aethylalkohol; Alcohol, dehydrated; Alcool ethylique; Alcool etilico; Alkohol; Cologne spirits; Denatured alcohol CD-10; Denatured alcohol CD-5; Denatured alcohol CD-5a; Denatured alcohol SD-1; Denatured alcohol SD-13a; Denatured alcohol SD-17; Denatured alcohol SD-23a; Denatured alcohol SD-28; Denatured alcohol SD-3a; Denatured alcohol SD-30; Denatured alcohol SD-39b; Denatured alcohol SD-39c; Denatured alcohol SD-40m; Etanolo; Ethanol 200 proof; Ethyl alc; Etylowy alkohol; EtOH; NCI-C03134; Spirits of wine; Spirt; Alkoholu etylowego; Ethyl alcohol anhydrous; SD alcohol 23-hydrogen; UN 1170; Tecsol C; Alcare Hand Degermer; Absolute alcohol; Denatured alcohol; Ethanol, silent spirit; Ethylol; Punctilious ethyl alcohol; SD 3A
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Information on this page:
Other data available:
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 77
- Henry's Law data
- IR Spectrum
- Mass spectrum (electron ionization)
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:
DRB - Donald R. Burgess, Jr.
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	-56.0 ± 0.5	kcal/mol	AVG	N/A	Average of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-326.56 ± 0.1	kcal/mol	Cm	Rossini, 1932	Flame Calorimetry; Corresponding Δ_fHº_gas = -66.491 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
8.872	50.	Thermodynamics Research Center, 1997	p=1 bar. Recommended entropies and heat capacities are in close agreement with other statistically calculated values [ Zhuravlev E.Z., 1959, Chermin H.A.G., 1961, Green J.H.S., 1961, Green J.H.S., 1961, 2, Chao J., 1986, Gurvich, Veyts, et al., 1989]. Please also see Chao J., 1986, 2.; GT
9.967	100.
11.22	150.
12.43	200.
14.69	273.15
15.59 ± 0.033	298.15
15.65	300.
19.41	400.
22.89	500.
25.870	600.
28.401	700.
30.574	800.
32.459	900.
34.101	1000.
35.535	1100.
36.788	1200.
37.880	1300.
38.838	1400.
39.677	1500.
41.35	1750.
42.59	2000.
43.50	2250.
44.19	2500.
44.7	2750.
45.2	3000.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
12.28 ± 0.12	200.	Stromsoe E., 1970	Experimental data [ Bennewitz K., 1938, Eucken A., 1948, Barrow G.M., 1952, Sinke G.C., 1953, Halford J.O., 1957] are collected in ref. [ Green J.H.S., 1961]. Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1(a+bT). This expression approximates the experimental values with the average deviation of 1.09 J/molK. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Green J.H.S., 1961, Counsell J.F., 1970.; GT
14.89 ± 0.13	279.
14.84 ± 0.10	280.
17.48	350.01
18.09 ± 0.26	356.55
17.82	360.00
18.26 ± 0.26	361.75
18.05	367.9
18.16	370.01
18.58 ± 0.26	371.85
18.51	380.00
19.07 ± 0.26	387.25
19.12 ± 0.26	388.85
19.22	400.08
19.60	410.16
19.93	422.
20.10	425.09
20.54 ± 0.26	433.25
21.03	437.
20.86 ± 0.26	443.35
20.95	450.08
21.78	475.12
21.80	476.
22.04 ± 0.26	480.45
23.76 ± 0.26	534.35
24.22 ± 0.26	548.75
24.97 ± 0.26	572.25
25.58 ± 0.26	591.25

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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
MS - José A. Martinho Simões
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

C₂H₇O⁺ + Ethanol = (C₂H₇O⁺ • Ethanol )

By formula: C₂H₇O⁺ + C₂H₆O = (C₂H₇O⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.0	kcal/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°	32.2	kcal/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.5	cal/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°	28.5	cal/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23.5	kcal/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_rG°	23.7	kcal/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₂H₅O^- + Ethanol = (C₂H₅O^- • Ethanol )

By formula: C₂H₅O^- + C₂H₆O = (C₂H₅O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.6 ± 1.0	kcal/mol	TDEq	Meot-Ner and Sieck, 1986	gas phase; B,M
Δ_rH°	28.1 ± 2.5	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.8	cal/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Δ_rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH; Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19.6 ± 1.6	kcal/mol	TDEq	Meot-Ner and Sieck, 1986	gas phase; B
Δ_rG°	19.0 ± 1.6	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Δ_rG°	20.1	kcal/mol	ICR	McIver, Scott, et al., 1973	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M

C₂H₅NaO (cr) + 0.5( • 1100) (solution) = Ethanol (solution) + 0.5 (solution)

By formula: C₂H₅NaO (cr) + 0.5(H₂O₄S • 1100H₂O) (solution) = C₂H₆O (solution) + 0.5Na₂O₄S (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28.30 ± 0.91	kcal/mol	RSC	Blanchard, Joly, et al., 1974	solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -117.3 ± 1.4 kcal/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -98.0 ± 1.0 kcal/mol and -98.90 kcal/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS

+ Ethanol = ( • Ethanol )

By formula: Cl^- + C₂H₆O = (Cl^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.90 ± 0.40	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	17.60 ± 0.50	kcal/mol	TDAs	Hiraoka, 1987	gas phase; B,B,M
Δ_rH°	17.3 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.7	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Δ_rS°	23.1	cal/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.65	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	10.5 ± 2.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	10.5 ± 2.0	kcal/mol	TDAs	Hiraoka, 1987	gas phase; B
Δ_rG°	10.4 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
10.0	295.	ICR	Riveros, 1974	gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M

C₂H₅O^- + = Ethanol

By formula: C₂H₅O^- + H⁺ = C₂H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	379.2 ± 1.0	kcal/mol	D-EA	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	378.0 ± 2.0	kcal/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Δ_rH°	377.4 ± 2.1	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	379.10 ± 0.10	kcal/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	372.6 ± 1.1	kcal/mol	H-TS	Ramond, Davico, et al., 2000	gas phase; B
Δ_rG°	371.4 ± 2.1	kcal/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Δ_rG°	370.8 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B

C₂H₅O⁺ + Ethanol = (C₂H₅O⁺ • Ethanol )

By formula: C₂H₅O⁺ + C₂H₆O = (C₂H₅O⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29.5	kcal/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°	26.0	cal/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°	21.7	kcal/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

C₃H₉O⁺ + Ethanol = (C₃H₉O⁺ • Ethanol )

By formula: C₃H₉O⁺ + C₂H₆O = (C₃H₉O⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.5	kcal/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°	28.6	cal/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°	22.0	kcal/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^- + Ethanol = (C₄H₉O^- • Ethanol )

By formula: C₄H₉O^- + C₂H₆O = (C₄H₉O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.6 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17.9 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C₃H₇O^- + Ethanol = (C₃H₇O^- • Ethanol )

By formula: C₃H₇O^- + C₂H₆O = (C₃H₇O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.4 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18.7 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C₃H₉O⁺ + Ethanol = (C₃H₉O⁺ • Ethanol )

By formula: C₃H₉O⁺ + C₂H₆O = (C₃H₉O⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.9	kcal/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.2	cal/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23.5	kcal/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

+ Ethanol = ( • Ethanol )

By formula: F^- + C₂H₆O = (F^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.40 ± 0.70	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	31.5 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Δ_rH°	32.5 ± 2.2	kcal/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.9	cal/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24.74	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	24.1 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

CN^- + Ethanol = (CN^- • Ethanol )

By formula: CN^- + C₂H₆O = (CN^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.4 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Δ_rH°	17.4 ± 3.5	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.5	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	24.5	cal/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°	10.7 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	10.0 ± 2.3	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M

+ Ethanol = ( • Ethanol )

By formula: I^- + C₂H₆O = (I^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.00 ± 0.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	12.1 ± 1.0	kcal/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.9	cal/mol*K	PHPMS	Caldwell and Kebarle, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.11	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	6.4 ± 1.0	kcal/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B
Δ_rG°	6.0 ± 2.0	kcal/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

C₃H₉Si⁺ + Ethanol = (C₃H₉Si⁺ • Ethanol )

By formula: C₃H₉Si⁺ + C₂H₆O = (C₃H₉Si⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	42.0	kcal/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°	30.3	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
27.9	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

HS^- + Ethanol = (HS^- • Ethanol )

By formula: HS^- + C₂H₆O = (HS^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.30 ± 0.10	kcal/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B,M
Δ_rH°	16.2 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.0	cal/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Δ_rS°	19.8	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.60 ± 0.40	kcal/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B
Δ_rG°	10.3 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B

C₃H₉Sn⁺ + Ethanol = (C₃H₉Sn⁺ • Ethanol )

By formula: C₃H₉Sn⁺ + C₂H₆O = (C₃H₉Sn⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.8	kcal/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°	32.2	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
17.9	525.	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C₅H₁₁O^- + Ethanol = (C₅H₁₁O^- • Ethanol )

By formula: C₅H₁₁O^- + C₂H₆O = (C₅H₁₁O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.3 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17.6 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

( • 2 Ethanol ) + Ethanol = ( • 3 Ethanol )

By formula: (Cl^- • 2C₂H₆O) + C₂H₆O = (Cl^- • 3C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.90 ± 0.70	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	12.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.8	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.16	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	5.1 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • Ethanol ) + Ethanol = ( • 2 Ethanol )

By formula: (Cl^- • C₂H₆O) + C₂H₆O = (Cl^- • 2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.30 ± 0.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	16.1 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.9	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.34	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	8.3 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 9 Ethanol ) + Ethanol = ( • 10 Ethanol )

By formula: (Cl^- • 9C₂H₆O) + C₂H₆O = (Cl^- • 10C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.9 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.4 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

( • 8 Ethanol ) + Ethanol = ( • 9 Ethanol )

By formula: (Cl^- • 8C₂H₆O) + C₂H₆O = (Cl^- • 9C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.5 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

CH₆N⁺ + Ethanol = (CH₆N⁺ • Ethanol )

By formula: CH₆N⁺ + C₂H₆O = (CH₆N⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.3	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Meot-Ner, 1984	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

+ Ethanol = ( • Ethanol )

By formula: Na⁺ + C₂H₆O = (Na⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.3 ± 1.3	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	24.4 ± 0.9	kcal/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	24.4 ± 0.9	kcal/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
19.0	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

( • Ethanol ) + Ethanol = ( • 2 Ethanol )

By formula: (Na⁺ • C₂H₆O) + C₂H₆O = (Na⁺ • 2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	23.7 ± 1.6	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	23.1 ± 1.1	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	23.7 ± 1.6	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	23.3 ± 1.4	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD

C₂H₅LiO (cr) + 0.5( • 1100) (solution) = 0.5Li₂O₄S (solution) + Ethanol (solution)

By formula: C₂H₅LiO (cr) + 0.5(H₂O₄S • 1100H₂O) (solution) = 0.5Li₂O₄S (solution) + C₂H₆O (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27.15 ± 0.31	kcal/mol	RSC	Blanchard, Joly, et al., 1974	solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on -17.5±0.3 for the enthalpy of solution of Li2SO4(cr) Blanchard, Joly, et al., 1974.; MS

C₂H₅KO (cr) + 0.5( • 1100) (solution) = Ethanol (solution) + 0.5K₂O₄S (solution)

By formula: C₂H₅KO (cr) + 0.5(H₂O₄S • 1100H₂O) (solution) = C₂H₆O (solution) + 0.5K₂O₄S (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-31.62 ± 0.69	kcal/mol	RSC	Blanchard, Joly, et al., 1974	solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 35.1±0.1 for the enthalpy of solution of K2SO4(cr) Blanchard, Joly, et al., 1974.; MS

+ Ethanol = C₂H₆BrO^-

By formula: Br^- + C₂H₆O = C₂H₆BrO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.10 ± 0.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	8.8 ± 2.0	kcal/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

+ = Ethanol

By formula: H₂ + C₂H₄O = C₂H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-19.44 ± 0.34	kcal/mol	Chyd	Wiberg, Crocker, et al., 1991	liquid phase; solvent: Triglyme; ALS
Δ_rH°	-16.51 ± 0.10	kcal/mol	Chyd	Dolliver, Gresham, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -16.8 ± 0.1 kcal/mol; At 355 °K; ALS

( • 3 Ethanol ) + Ethanol = ( • 4 Ethanol )

By formula: (Cl^- • 3C₂H₆O) + C₂H₆O = (Cl^- • 4C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.0 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.5	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.2 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 4 Ethanol ) + Ethanol = ( • 5 Ethanol )

By formula: (Cl^- • 4C₂H₆O) + C₂H₆O = (Cl^- • 5C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.5 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.6	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.3 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 5 Ethanol ) + Ethanol = ( • 6 Ethanol )

By formula: (Cl^- • 5C₂H₆O) + C₂H₆O = (Cl^- • 6C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.1 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.0	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 6 Ethanol ) + Ethanol = ( • 7 Ethanol )

By formula: (Cl^- • 6C₂H₆O) + C₂H₆O = (Cl^- • 7C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.9	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.7 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 7 Ethanol ) + Ethanol = ( • 8 Ethanol )

By formula: (Cl^- • 7C₂H₆O) + C₂H₆O = (Cl^- • 8C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.2 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.2	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.6 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

+ Ethanol = ( • Ethanol )

By formula: C₂H₃O₂^- + C₂H₆O = (C₂H₃O₂^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.7 ± 1.0	kcal/mol	N/A	Meot-Ner and Sieck, 1986	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.2	cal/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.9 ± 1.6	kcal/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B

+ Ethanol =

By formula: C₄H₈ + C₂H₆O = C₆H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-7.65	kcal/mol	Cm	Sola, Pericas, et al., 1995	liquid phase; ALS
Δ_rH°	-7.65	kcal/mol	Kin	Sola, Pericas, et al., 1995	liquid phase; ALS
Δ_rH°	-14.9 ± 0.5	kcal/mol	Eqk	Iborra, Izquierdo, et al., 1989	gas phase; GC; ALS

C₂H₄NO₂^- + Ethanol = C₄H₁₀NO₃^-

By formula: C₂H₄NO₂^- + C₂H₆O = C₄H₁₀NO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.57 ± 0.50	kcal/mol	TDAs	Nieckarz, Atkins, et al., 2008	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.8 ± 1.0	kcal/mol	TDAs	Nieckarz, Atkins, et al., 2008	gas phase; B

+ 2 Ethanol = C₄H₁₂IO₂^-

By formula: I^- + 2C₂H₆O = C₄H₁₂IO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.50 ± 0.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.42	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 2 Ethanol = C₄H₁₂BrO₂^-

By formula: Br^- + 2C₂H₆O = C₄H₁₂BrO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.50 ± 0.60	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.72	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Ethanol = C₆H₁₈IO₃^-

By formula: I^- + 3C₂H₆O = C₆H₁₈IO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.40 ± 0.50	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.51	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Ethanol = C₆H₁₈BrO₃^-

By formula: Br^- + 3C₂H₆O = C₆H₁₈BrO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.50 ± 0.30	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.37	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

C₂H₆FO^- + 2 Ethanol = C₄H₁₂FO₂^-

By formula: C₂H₆FO^- + 2C₂H₆O = C₄H₁₂FO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.60 ± 0.30	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12.10	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

Ethanol + = +

By formula: C₂H₆O + C₃H₆O₂ = C₅H₁₀O₂ + H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-5.40 ± 0.10	kcal/mol	Eqk	Essex and Sandholzer, 1938	liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -5.627 kcal/mol; ALS

C₄H₁₂FO₂^- + 3 Ethanol = C₆H₁₈FO₃^-

By formula: C₄H₁₂FO₂^- + 3C₂H₆O = C₆H₁₈FO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.60 ± 0.10	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.12	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Ethanol = C₈H₁₁O₂^-

By formula: C₆H₅O^- + C₂H₆O = C₈H₁₁O₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.3 ± 1.0	kcal/mol	N/A	Meot-Ner and Sieck, 1986	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.2 ± 1.6	kcal/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B

+ Ethanol = ( • Ethanol )

By formula: C₆H₅O^- + C₂H₆O = (C₆H₅O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.3	kcal/mol	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.0	cal/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M

4 Ethanol (l) + (l) = (l) + 4( • 51.3) (solution)

By formula: 4C₂H₆O (l) + Cl₄Ti (l) = C₈H₂₀O₄Ti (l) + 4(HCl • 51.3H₂O) (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-49.1 ± 1.0	kcal/mol	RSC	Bradley and Hillyer, 1966	Please also see Pedley and Rylance, 1977.; MS

+ Ethanol = C₂H₅D₆FO^-

By formula: F^- + C₂H₆O = C₂H₅D₆FO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23.7 ± 2.0	kcal/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

+ Ethanol = ( • Ethanol )

By formula: Mg⁺ + C₂H₆O = (Mg⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	63. ± 5.	kcal/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

3 + = CNa₂O₃ + Ethanol + +

By formula: 3HNaO + C₃H₅ClO₂ = CNa₂O₃ + C₂H₆O + ClNa + H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-77.27 ± 0.41	kcal/mol	Cm	Davies, Finch, et al., 1980	liquid phase; Heat of hydrolysis; ALS

+ = + + Ethanol

By formula: C₉H₁₆N₂O₂ + H₂O = C₄H₈O₂ + C₃H₄N₂ + C₂H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-10.68 ± 0.16	kcal/mol	Cm	Guthrie and Pike, 1987	liquid phase; Heat of hydrolysis; 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)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₂H₆O⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.48 ± 0.07	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	185.6	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	178.	kcal/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

Proton affinity (kcal/mol)	Reference	Comment
186.3 ± 0.2	Tabrizchi and Shooshtari, 2003	T = 403-453K; Authors report only relative PAs. Absolute values are referenced here to PA(CH3COOC2H5) = 835.7 kJ/mol as listed in Hunter and Lias, 1998, although average PA(CH3COOC2H5) from the literature sources in Hunter and Lias, 1998 is 831.0 kJ/mol; MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.41 ± 0.05	EI	Holmes and Lossing, 1991	LL
10.4	PE	Ohno, Imai, et al., 1985	LBLHLM
10.47 ± 0.07	EI	Bowen and Maccoll, 1984	LBLHLM
10.3	PE	Ohno, Imai, et al., 1983	LBLHLM
10.5	EI	Mishchanchuk, Pokrovskii, et al., 1982	LBLHLM
10.7	PE	Von Niessen, Bieri, et al., 1980	LLK
10.49 ± 0.01	PI	Potapov and Sorokin, 1972	LLK
10.46 ± 0.02	PE	Cocksey, Eland, et al., 1971	LLK
10.65	PE	Baker, Betteridge, et al., 1971	LLK
10.46	PE	Dewar and Worley, 1969	RDSH
10.47 ± 0.02	PI	Refaey and Chupka, 1968	RDSH
10.48 ± 0.05	PI	Watanabe, Nakayama, et al., 1962	RDSH
10.64	PE	Ohno, Imai, et al., 1985	Vertical value; LBLHLM
10.64	PE	Utsunomiya, Kobayashi, et al., 1980	Vertical value; LLK
10.65	PE	Hoppilliard and Solgadi, 1980	Vertical value; LLK
10.61	PE	Benoit and Harrison, 1977	Vertical value; LLK
10.65 ± 0.03	PE	Peel and Willett, 1975	Vertical value; LLK
10.59	PE	Vovna, Lopatin, et al., 1974	Vertical value; LLK
10.04	PE	Schweig and Thiel, 1974	Vertical value; LLK
10.62	PE	Robin and Kuebler, 1973	Vertical value; LLK
10.64	PE	Katsumata, Iwai, et al., 1973	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	22.9 ± 0.5	H₂+H+CH₂OH	EI	Stepanov, Perov, et al., 1988	LL
CH₂O⁺	11.70	CH₄	PI	Refaey and Chupka, 1968	RDSH
CH₃⁺	14.70 ± 0.10	?	EI	Haney and Franklin, 1969	RDSH
CH₃O⁺	11.25 ± 0.09	CH₃	EI	Bowen and Maccoll, 1984	LBLHLM
CH₃O⁺	11.40 ± 0.06	CH₃	EI	Selim and Helal, 1981	LLK
CH₃O⁺	11.30	CH₃	EI	Lossing, 1977	LLK
CH₃O⁺	11.20 ± 0.05	CH₃	PI	Potapov and Sorokin, 1972	LLK
CH₃O⁺	11.25	CH₃	PI	Refaey and Chupka, 1968	RDSH
C₂H₃⁺	14.7	?	EI	Friedman, Long, et al., 1957	RDSH
C₂H₃O⁺	14.5	H₂+H	EI	Friedman, Long, et al., 1957	RDSH
C₂H₄⁺	12.0 ± 0.9	H₂O	EI	Bowen and Maccoll, 1984	LBLHLM
C₂H₄⁺	12.0	H₂O	PI	Refaey and Chupka, 1968	RDSH
C₂H₄O⁺	~10.45	H₂	EI	Holmes, Terlouw, et al., 1976	LLK
C₂H₅⁺	12.7	OH	PI	Refaey and Chupka, 1968	RDSH
C₂H₅O⁺	10.78 ± 0.09	H	EI	Bowen and Maccoll, 1984	LBLHLM
C₂H₅O⁺	10.6	H	EI	Mishchanchuk, Pokrovskii, et al., 1982	LBLHLM
C₂H₅O⁺	10.67	H	EI	Lossing, 1977	LLK
C₂H₅O⁺	10.75 ± 0.03	H	EI	Solka and Russell, 1974	LLK
C₂H₅O⁺	10.80 ± 0.05	H	PI	Potapov and Sorokin, 1972	LLK
C₂H₅O⁺	10.78 ± 0.02	H	PI	Refaey and Chupka, 1968	RDSH
C₂H₅O⁺[CH₃CHOH⁺]	10.801 ± 0.005	H	PI	Ruscic and Berkowitz, 1994	T = 0K; LL
H⁺	21.0 ± 0.5	CH₂+CH₂OH	EI	Stepanov, Perov, et al., 1988	LL
H₂O⁺	13.06	C₂H₄	EI	Lewis and Hamill, 1970	RDSH
H₃O⁺	13.8	H₂+C₂H₃	PIPECO	Niwa, Nishimura, et al., 1982	LBLHLM
H₃O⁺	14.30 ± 0.02	?	EI	Haney and Franklin, 1969, 2	RDSH
O⁺	21.7 ± 0.5	2CH₃	EI	Stepanov, Perov, et al., 1988	LL

De-protonation reactions

C₂H₅O^- + = Ethanol

By formula: C₂H₅O^- + H⁺ = C₂H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	379.2 ± 1.0	kcal/mol	D-EA	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	378.0 ± 2.0	kcal/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Δ_rH°	377.4 ± 2.1	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	379.10 ± 0.10	kcal/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	372.6 ± 1.1	kcal/mol	H-TS	Ramond, Davico, et al., 2000	gas phase; B
Δ_rG°	371.4 ± 2.1	kcal/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Δ_rG°	370.8 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B

Anion protonation reactions

C₂H₅O^- + = Ethanol

By formula: C₂H₅O^- + H⁺ = C₂H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	379.2 ± 1.0	kcal/mol	D-EA	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	378.0 ± 2.0	kcal/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Δ_rH°	377.4 ± 2.1	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	379.10 ± 0.10	kcal/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	372.6 ± 1.1	kcal/mol	H-TS	Ramond, Davico, et al., 2000	gas phase; B
Δ_rG°	371.4 ± 2.1	kcal/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Δ_rG°	370.8 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

+ Ethanol = C₂H₆BrO^-

By formula: Br^- + C₂H₆O = C₂H₆BrO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.10 ± 0.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	8.8 ± 2.0	kcal/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

+ 2 Ethanol = C₄H₁₂BrO₂^-

By formula: Br^- + 2C₂H₆O = C₄H₁₂BrO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.50 ± 0.60	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.72	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Ethanol = C₆H₁₈BrO₃^-

By formula: Br^- + 3C₂H₆O = C₆H₁₈BrO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.50 ± 0.30	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.37	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

CH₆N⁺ + Ethanol = (CH₆N⁺ • Ethanol )

By formula: CH₆N⁺ + C₂H₆O = (CH₆N⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.3	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Meot-Ner, 1984	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

CN^- + Ethanol = (CN^- • Ethanol )

By formula: CN^- + C₂H₆O = (CN^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.4 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Δ_rH°	17.4 ± 3.5	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.5	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Δ_rS°	24.5	cal/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°	10.7 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B
Δ_rG°	10.0 ± 2.3	kcal/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M

+ Ethanol = ( • Ethanol )

By formula: C₂H₃O₂^- + C₂H₆O = (C₂H₃O₂^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.7 ± 1.0	kcal/mol	N/A	Meot-Ner and Sieck, 1986	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.2	cal/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.9 ± 1.6	kcal/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B

C₂H₄NO₂^- + Ethanol = C₄H₁₀NO₃^-

By formula: C₂H₄NO₂^- + C₂H₆O = C₄H₁₀NO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.57 ± 0.50	kcal/mol	TDAs	Nieckarz, Atkins, et al., 2008	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.8 ± 1.0	kcal/mol	TDAs	Nieckarz, Atkins, et al., 2008	gas phase; B

C₂H₅O⁺ + Ethanol = (C₂H₅O⁺ • Ethanol )

By formula: C₂H₅O⁺ + C₂H₆O = (C₂H₅O⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29.5	kcal/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°	26.0	cal/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°	21.7	kcal/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

C₂H₅O^- + Ethanol = (C₂H₅O^- • Ethanol )

By formula: C₂H₅O^- + C₂H₆O = (C₂H₅O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.6 ± 1.0	kcal/mol	TDEq	Meot-Ner and Sieck, 1986	gas phase; B,M
Δ_rH°	28.1 ± 2.5	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.8	cal/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Δ_rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH; Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19.6 ± 1.6	kcal/mol	TDEq	Meot-Ner and Sieck, 1986	gas phase; B
Δ_rG°	19.0 ± 1.6	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Δ_rG°	20.1	kcal/mol	ICR	McIver, Scott, et al., 1973	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M

C₂H₆FO^- + 2 Ethanol = C₄H₁₂FO₂^-

By formula: C₂H₆FO^- + 2C₂H₆O = C₄H₁₂FO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.60 ± 0.30	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	12.10	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

C₂H₇O⁺ + Ethanol = (C₂H₇O⁺ • Ethanol )

By formula: C₂H₇O⁺ + C₂H₆O = (C₂H₇O⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.0	kcal/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°	32.2	kcal/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.5	cal/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°	28.5	cal/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23.5	kcal/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_rG°	23.7	kcal/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₃H₇O^- + Ethanol = (C₃H₇O^- • Ethanol )

By formula: C₃H₇O^- + C₂H₆O = (C₃H₇O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.4 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18.7 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C₃H₉O⁺ + Ethanol = (C₃H₉O⁺ • Ethanol )

By formula: C₃H₉O⁺ + C₂H₆O = (C₃H₉O⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.5	kcal/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°	28.6	cal/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°	22.0	kcal/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

C₃H₉O⁺ + Ethanol = (C₃H₉O⁺ • Ethanol )

By formula: C₃H₉O⁺ + C₂H₆O = (C₃H₉O⁺ • C₂H₆O)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.9	kcal/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.2	cal/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23.5	kcal/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₃H₉Si⁺ + Ethanol = (C₃H₉Si⁺ • Ethanol )

By formula: C₃H₉Si⁺ + C₂H₆O = (C₃H₉Si⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	42.0	kcal/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°	30.3	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
27.9	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

C₃H₉Sn⁺ + Ethanol = (C₃H₉Sn⁺ • Ethanol )

By formula: C₃H₉Sn⁺ + C₂H₆O = (C₃H₉Sn⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.8	kcal/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°	32.2	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
17.9	525.	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C₄H₉O^- + Ethanol = (C₄H₉O^- • Ethanol )

By formula: C₄H₉O^- + C₂H₆O = (C₄H₉O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.6 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17.9 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C₄H₁₂FO₂^- + 3 Ethanol = C₆H₁₈FO₃^-

By formula: C₄H₁₂FO₂^- + 3C₂H₆O = C₆H₁₈FO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.60 ± 0.10	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.12	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

C₅H₁₁O^- + Ethanol = (C₅H₁₁O^- • Ethanol )

By formula: C₅H₁₁O^- + C₂H₆O = (C₅H₁₁O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.3 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17.6 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

+ Ethanol = ( • Ethanol )

By formula: C₆H₅O^- + C₂H₆O = (C₆H₅O^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.3	kcal/mol	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.0	cal/mol*K	PHPMS	Meot-Ner and Sieck, 1986	gas phase; M

+ Ethanol = C₈H₁₁O₂^-

By formula: C₆H₅O^- + C₂H₆O = C₈H₁₁O₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.3 ± 1.0	kcal/mol	N/A	Meot-Ner and Sieck, 1986	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.2 ± 1.6	kcal/mol	TDAs	Meot-Ner and Sieck, 1986	gas phase; B

+ Ethanol = ( • Ethanol )

By formula: Cl^- + C₂H₆O = (Cl^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.90 ± 0.40	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	17.60 ± 0.50	kcal/mol	TDAs	Hiraoka, 1987	gas phase; B,B,M
Δ_rH°	17.3 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.7	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Δ_rS°	23.1	cal/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.65	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	10.5 ± 2.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	10.5 ± 2.0	kcal/mol	TDAs	Hiraoka, 1987	gas phase; B
Δ_rG°	10.4 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
10.0	295.	ICR	Riveros, 1974	gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M

( • Ethanol ) + Ethanol = ( • 2 Ethanol )

By formula: (Cl^- • C₂H₆O) + C₂H₆O = (Cl^- • 2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.30 ± 0.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	16.1 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.9	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.34	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	8.3 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 2 Ethanol ) + Ethanol = ( • 3 Ethanol )

By formula: (Cl^- • 2C₂H₆O) + C₂H₆O = (Cl^- • 3C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.90 ± 0.70	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	12.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.8	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.16	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	5.1 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 3 Ethanol ) + Ethanol = ( • 4 Ethanol )

By formula: (Cl^- • 3C₂H₆O) + C₂H₆O = (Cl^- • 4C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.0 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.5	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.2 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 4 Ethanol ) + Ethanol = ( • 5 Ethanol )

By formula: (Cl^- • 4C₂H₆O) + C₂H₆O = (Cl^- • 5C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.5 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.6	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.3 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 5 Ethanol ) + Ethanol = ( • 6 Ethanol )

By formula: (Cl^- • 5C₂H₆O) + C₂H₆O = (Cl^- • 6C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.1 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.0	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 6 Ethanol ) + Ethanol = ( • 7 Ethanol )

By formula: (Cl^- • 6C₂H₆O) + C₂H₆O = (Cl^- • 7C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.9	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.7 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 7 Ethanol ) + Ethanol = ( • 8 Ethanol )

By formula: (Cl^- • 7C₂H₆O) + C₂H₆O = (Cl^- • 8C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.2 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.2	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.6 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 8 Ethanol ) + Ethanol = ( • 9 Ethanol )

By formula: (Cl^- • 8C₂H₆O) + C₂H₆O = (Cl^- • 9C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.5 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

( • 9 Ethanol ) + Ethanol = ( • 10 Ethanol )

By formula: (Cl^- • 9C₂H₆O) + C₂H₆O = (Cl^- • 10C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.9 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.4 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

+ Ethanol = C₂H₅D₆FO^-

By formula: F^- + C₂H₆O = C₂H₅D₆FO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	23.7 ± 2.0	kcal/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

+ Ethanol = ( • Ethanol )

By formula: F^- + C₂H₆O = (F^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.40 ± 0.70	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	31.5 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Δ_rH°	32.5 ± 2.2	kcal/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.9	cal/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24.74	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	24.1 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

HS^- + Ethanol = (HS^- • Ethanol )

By formula: HS^- + C₂H₆O = (HS^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.30 ± 0.10	kcal/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B,M
Δ_rH°	16.2 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.0	cal/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Δ_rS°	19.8	cal/mol*K	PHPMS	Meot-ner, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.60 ± 0.40	kcal/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B
Δ_rG°	10.3 ± 1.0	kcal/mol	TDAs	Meot-ner, 1988	gas phase; B

+ Ethanol = ( • Ethanol )

By formula: I^- + C₂H₆O = (I^- • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.00 ± 0.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	12.1 ± 1.0	kcal/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	18.9	cal/mol*K	PHPMS	Caldwell and Kebarle, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.11	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	6.4 ± 1.0	kcal/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B
Δ_rG°	6.0 ± 2.0	kcal/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

+ 2 Ethanol = C₄H₁₂IO₂^-

By formula: I^- + 2C₂H₆O = C₄H₁₂IO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.50 ± 0.20	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.42	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Ethanol = C₆H₁₈IO₃^-

By formula: I^- + 3C₂H₆O = C₆H₁₈IO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.40 ± 0.50	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.51	kcal/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Ethanol = ( • Ethanol )

By formula: Li⁺ + C₂H₆O = (Li⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.2 ± 1.9	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ Ethanol = ( • Ethanol )

By formula: Mg⁺ + C₂H₆O = (Mg⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	63. ± 5.	kcal/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ Ethanol = ( • Ethanol )

By formula: Na⁺ + C₂H₆O = (Na⁺ • C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.3 ± 1.3	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	24.4 ± 0.9	kcal/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	24.4 ± 0.9	kcal/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
19.0	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

( • Ethanol ) + Ethanol = ( • 2 Ethanol )

By formula: (Na⁺ • C₂H₆O) + C₂H₆O = (Na⁺ • 2C₂H₆O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	23.7 ± 1.6	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	23.1 ± 1.1	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	23.7 ± 1.6	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	23.3 ± 1.4	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD

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	SE-30	48.	463.6	Golovnya, Kuz'menko, et al., 2000	25. m/0.32 mm/1. μm, He
Capillary	SE-30	58.	459.2	Golovnya, Kuz'menko, et al., 2000	25. m/0.32 mm/1. μm, He
Capillary	SE-30	66.	457.4	Golovnya, Kuz'menko, et al., 2000	25. m/0.32 mm/1. μm, He
Capillary	SE-30	48.	463.6	Golovnya, Kuz'menko, et al., 2000, 2	25. m/0.32 mm/1. μm, He
Capillary	SE-30	58.	459.2	Golovnya, Kuz'menko, et al., 2000, 2	25. m/0.32 mm/1. μm, He
Capillary	SE-30	66.	457.4	Golovnya, Kuz'menko, et al., 2000, 2	25. m/0.32 mm/1. μm, He
Packed	Porapack Q	200.	415.	Gawdzik and Matynia, 1994	H2; Column length: 1. m
Capillary	SE-30	100.	496.	Haken and Korhonen, 1985	Column length: 25. m; Column diameter: 0.33 mm; Large deviations from similar measurements
Packed	Apolane	100.	413.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Packed	Apolane	200.	397.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Packed	Squalane	100.	396.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Packed	Squalane	200.	396.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Packed	SE-30	100.	427.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Packed	Squalane	50.	435.	Becerra, Sánchez, et al., 1982	N2, Chromosorb W-AM; Column length: 6. m
Capillary	OV-1	60.	423.	Nijs and Jacobs, 1981	He; Column length: 150. m; Column diameter: 0.50 mm
Packed	Squalane	100.	437.0	Gröbler and Bálizs, 1979	Column length: 1. m
Packed	SE-30	150.	427.	Haken, Nguyen, et al., 1979	Celatom AW silanized; Column length: 3.7 m
Packed	Apiezon L	120.	403.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	70.	400.	Bogoslovsky, Anvaer, et al., 1978
Packed	SE-30	100.	439.	Pías and Gascó, 1975	Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
Packed	Apiezon L	100.	410.	Wagaman and Smith, 1971	CH4; Column length: 3. m
Packed	Squalane	50.	422.	Mira and Sanchez, 1970	Chromosorb G
Packed	Apiezon L	100.	409.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Apiezon L	150.	396.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Apiezon L	70.	400.	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	DB-1	440.	Takeoka, Flath, et al., 1990	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	414.4	Castello, Timossi, et al., 1988	N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Supelcowax-10	60.	944.	Castello, Vezzani, et al., 1991	N2; Column length: 60. m; Column diameter: 0.75 mm
Capillary	OV-351	100.	952.	Haken and Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.32 mm
Capillary	OV-351	80.	924.	Haken and Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.32 mm
Packed	Carbowax 20M	75.	972.	Goebel, 1982	N2, Kieselgur (60-100 mesh); Column length: 2. m
Packed	PEG-2000	152.	942.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	179.	939.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	Carbowax 20M	100.	922.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m
Packed	Polyethylene Glycol 4000	100.	941.	Bonastre and Grenier, 1968	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	120.	931.	Bonastre and Grenier, 1968	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	140.	921.	Bonastre and Grenier, 1968	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	80.	951.	Bonastre and Grenier, 1968	Chromosorb P; Column length: 6. m

Kovats' RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	926.	Shimoda and Shibamoto, 1990	He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 190. C
Capillary	DB-Wax	925.	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
Packed	PEG-20M	900.	Galt and MacLeod, 1984	N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; T_end: 175. C

Kovats' RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	PEG-20M	905.	Slizhov and Gavrilenko, 2001	He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified
Capillary	Supelcowax-10	940.7	Castello, Timossi, et al., 1988	N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified
Capillary	Carbowax 20M	933.	Brander, Kepner, et al., 1980	Program: not specified
Capillary	Carbowax 20M	934.	Brander, Kepner, et al., 1980	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	Petrocol DH	443.2	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	Petrocol DH	443.8	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	443.	Pino and Marbot, 2001	50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
Capillary	SE-30	444.7	Golovnya, Kuz'menko, et al., 2000	25. m/0.32 mm/1. μm, He, 4. K/min; T_start: 60. C
Capillary	SE-30	444.7	Golovnya, Kuz'menko, et al., 2000, 2	25. m/0.32 mm/1. μm, He, 4. K/min; T_start: 60. C
Capillary	DB-1	436.	Bartelt, 1997	30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; T_end: 270. C
Capillary	DB-1	446.	Peng, 1992	15. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min; T_end: 250. C
Capillary	SE-30	416.	Korhonen, 1985	N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; T_start: 100. C
Capillary	SE-30	432.	Korhonen, 1985	N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; T_start: 100. 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	Methyl Silicone	446.	Peng, Yang, et al., 1991	Program: not specified
Packed	SE-30	446.	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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-FFAP	939.	Jarunrattanasri, Theerakulkait, et al., 2007	30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min
Capillary	DB-Wax	937.	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	DB-Wax	933.	Gurbuz O., Rouseff J.M., et al., 2006	60. m/0.25 mm/0.25 μm, He, 7. K/min, 265. C @ 5. min; T_start: 40. C
Capillary	DB-Wax	941.	Gurbuz O., Rouseff J.M., et al., 2006	30. m/0.32 mm/0.5 μm, He, 7. K/min, 265. C @ 5. min; T_start: 40. C
Capillary	CP-Wax 52CB	934.	Kourkoutas, Elmore, et al., 2006	60. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 250. C
Capillary	Supelcowax-10	888.	Chung, Fung, et al., 2005	60. m/0.25 mm/0.25 μm, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
Capillary	DB-Wax	947.	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	955.	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	900.	Brat, Rega, et al., 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 20. min; T_start: 40. C
Capillary	Carbowax	948.8	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	935.	Cha, Kim, et al., 1998	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min
Capillary	DB-Wax	930.	Cha, Kim, et al., 1998	30. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 6. K/min, 200. C @ 30. min
Capillary	FFAP	956.	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	DB-Wax	932.	Shimoda, Shiratsuchi, et al., 1996	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C
Capillary	DB-Wax	925.	Shimoda, Shigematsu, et al., 1995	60. m/0.25 mm/0.25 μm, 2. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	944.	Iwaoka, Hagi, et al., 1994	He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	DB-Wax	947.	Shiratsuchi, Shimoda, et al., 1994	60. m/0.25 mm/0.25 μm, 2. K/min, 230. C @ 60. min; T_start: 50. C
Capillary	DB-Wax	947.	Shiratsuchi, Shimoda, et al., 1994, 2	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C
Capillary	HP-20M	929.	Chung, Eiserich, et al., 1993	He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 190. C
Capillary	HP-FFAP	936.	Chung, Eiserich, et al., 1993	He, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 210. C
Capillary	DB-Wax	930.	Shiratsuchi, Shimoda, et al., 1993	60. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min
Capillary	DB-Wax	930.	Shiratsuchi, Shimoda, et al., 1993	60. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min
Capillary	Carbowax 20M	944.	Peng, 1992	8. K/min, 200. C @ 60. min; Column length: 3.05 m; T_start: 40. C
Capillary	DB-Wax	938.	Stashenko, Macku, et al., 1992	He, 35. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 180. C
Packed	Carbowax 20M	944.	Peng, Yang, et al., 1991	Supelcoport, 40. C @ 4. min, 8. K/min; Column length: 3.05 m; T_end: 200. C
Capillary	Carbowax 20M	929.	Chen, Kuo, et al., 1986	He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	OV-351	893.	Korhonen, 1985	N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; T_start: 100. C
Capillary	OV-351	920.	Korhonen, 1985	N2, 2. K/min; Column length: 25. m; Column diameter: 0.33 mm; T_start: 100. C
Capillary	OV-351	918.	Korhonen, 1985	N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; T_start: 100. C
Capillary	Carbowax 20M	908.	Chen, Kuo, et al., 1982	He, 50. C @ 10. min, 1. K/min; T_end: 160. C
Packed	Carbowax 20M	897.	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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	934.	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	932.	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	934.	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	937.	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	937.	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	FFAP	945.	Ranau and Steinhart, 2005	60. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)
Capillary	DB-Wax	944.	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	DB-Wax	960.1	Yang, Chyau, et al., 1998	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 50C => 2.5C/min => 150C => 1.5C/min => 210C
Capillary	FFAP	935.	Yasuhara, 1987	50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C
Capillary	Carbowax 20M	910.	Whitfield, Shea, et al., 1981	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	SE-30	100.	427.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	120.	411.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	140.	415.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	160.	411.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	180.	406.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	80.	443.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Packed	Synachrom	150.	410.	Dufka, Malinsky, et al., 1971	Helium, Synachrom (60-80 mesh); Column length: 1.5 m
Packed	Synachrom	150.	412.	Dufka, Malinsky, et al., 1971	Helium, Synachrom (60-80 mesh); Column length: 1.5 m
Packed	Squalane	100.	408.	Vernon, 1971	N2
Packed	DC-400	150.	462.	Anderson, 1968	Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m
Packed	Squalane	125.	405.	Cremer and Nonn, 1964	H2, Chromosorb W (80-100 mesh); Column length: 3. m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Packed	SE-30	421.	MHA, 9999	Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; T_start: 100. C; T_end: 300. C
Capillary	Polydimethyl siloxane: CP-Sil 5 CB	458.	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	Petrocol DH	454.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	DB-5	459.	Cais-Sokolinska, Majcher, et al., 2011	25. m/0.20 mm/0.33 μm, Helium, 50. C @ 1. min, 20. K/min; T_end: 240. C
Capillary	VF-5 MS	426.	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	429.	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	RTX-5	477.	Berdague, Tournayre, et al., 2007	60. m/0.32 mm/1. μm, 40. C @ 5. min, 4. K/min, 205. C @ 5. min
Capillary	5 % Phenyl methyl siloxane	482.	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	SPB-5	444.	Vasta, Ratel, et al., 2007	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
Capillary	HP-1	440.	Castel, Fernandez, et al., 2006	50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
Capillary	HP-5	445.	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	427.0	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	RSL-200	440.	Ngassoum, Jirovetz, et al., 2001	30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
Capillary	BP-1	450.	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	DB-5MS	427.4	Shoenmakers, Oomen, et al., 2000	30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; T_end: 250. C
Capillary	HP-5	450.	Jung, Wichmann, et al., 1999	25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; T_end: 180. C
Capillary	DB-1	440.	Buttery, Ling, et al., 1997	30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
Capillary	DB-1	436.	Robacker and Bartelt, 1997	30. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; T_end: 200. C
Capillary	DB-1	440.	Hansen, Buttery, et al., 1992	30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	448.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-5	489.	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-1	472.	Barra, Baldovini, et al., 2007	50. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)
Capillary	Methyl Silicone	493.	Chen and Feng, 2007	Program: not specified
Capillary	VB-5	472.	Karlshøj, Nielsen, et al., 2007	60. m/0.25 mm/1. μm, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C
Capillary	Methyl Silicone	493.	Kou, Zhang, et al., 2006	Program: not specified
Capillary	Methyl Silicone	462.	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	HP-5	482.	Thierry, Maillard, et al., 2005	60. m/0.32 mm/1. μm; Program: not specified
Capillary	Methyl Silicone	439.	Fu and Wang, 2004	Program: not specified
Capillary	SE-30	440.	Vinogradov, 2004	Program: not specified
Capillary	Methyl Silicone	455.	N/A	Program: not specified
Capillary	Methyl Silicone	443.	Zenkevich, 1999	Program: not specified
Capillary	SPB-1	427.	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	443.	Zenkevich and Chupalov, 1996	Program: not specified
Capillary	Methyl Silicone	443.	Zenkevich, Korolenko, et al., 1995	Program: not specified
Capillary	DB-1	428.	Schuberth, 1994	30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
Capillary	SPB-1	427.	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	421.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	CP Sil 8 CB	446.	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	DB-1	440.	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	421.	Ramsey and Flanagan, 1982	Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Carbowax 20M	100.	926.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	60.	936.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	80.	932.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	OV-351	100.	927.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	OV-351	120.	910.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	OV-351	140.	890.	Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Packed	Carbowax 20M	100.	917.	Yabumoto, Jennings, et al., 1977

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-FFAP	944.	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	FFAP	883.	Budryn, Nebesny, et al., 2011	30. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min
Capillary	HP-Innowax	939.	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	HP-FFAP	913.	Guzman-Geronimo, Lopez, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 40. C @ 3. min, 3. K/min, 120. C @ 5. min
Capillary	FFAP	883.	Nebesny, Budryn, et al., 2007	30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min
Capillary	CP-Wax 52CB	938.	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	938.	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	TR-WAX	932.	Tena N., Lazzez A., et al., 2007	60. m/0.25 mm/0.25 μm, H2, 40. C @ 10. min, 3. K/min, 200. C @ 10. min
Capillary	DB-Wax	937.	Wei A. and Shibamoto T., 2007	60. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 3. K/min, 180. C @ 80. min
Capillary	Carbowax 20M	928.	de la Fuente, Martinez-Castro, et al., 2005	50. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min
Capillary	Stabilwax	922.	Jirovetz, Buchbauer, et al., 2005	30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
Capillary	Stabilwax	922.	Jirovetz, Buchbauer, et al., 2005, 2	30. m/0.32 mm/0.5 μm, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
Capillary	DB-Wax	930.	Njoroge, Koaze, et al., 2005	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	955.	Qian and Wang, 2005	60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min
Capillary	DB-Wax	900.	Rizzolo, Cambiaghi, et al., 2005	60. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; T_end: 180. C
Capillary	DB-Wax	942.	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	HP-FFAP	913.	López, Guzmán, et al., 2004	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 120. C @ 3. min
Capillary	PEG-20M	926.	Narain, Almeida, et al., 2004	50. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
Capillary	PEG-20M	930.	Narain, Almeida, et al., 2004	50. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min
Capillary	DB-Wax	946.	Alves and Franco, 2003	30. m/0.25 mm/0.5 μm, H2, 50. C @ 10. min, 3. K/min, 200. C @ 10. min
Capillary	DB-Wax	934.	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	934.	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	932.	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	926.	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	Supelcowax-10	927.	Vichi, Pizzale, et al., 2003, 2	30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; T_end: 200. C
Capillary	HP-FFAP	944.	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	DB-Wax	937.	Fu, Yoon, et al., 2002	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min
Capillary	DB-Wax	934.	Hayata, Sakamoto, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min
Capillary	DB-Wax	931.	Ito, Sugimoto, et al., 2002	60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 180. C
Capillary	FFAP	924.	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	HP-FFAP	924.	Qian and Reineccius, 2002	25. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
Capillary	HP-Wax	913.	Sanz, Maeztu, et al., 2002	60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; T_end: 190. C
Capillary	DB-Wax	926.	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	HP-Wax	913.	Maeztu, Sanz, et al., 2001	60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; T_end: 190. C
Capillary	HP-Wax	913.	Sanz, Ansorena, et al., 2001	60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; T_end: 190. C
Capillary	DB-Wax	934.	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	DB-Wax	940.	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	CP-Wax 52CB	900.	Hwan and Chou, 1999	50. m/0.32 mm/0.22 μm, H2, 60. C @ 4. min, 2. K/min, 190. C @ 21. min
Capillary	Supelcowax-10	908.	Campeanu, Burcea, et al., 1998	60. m/0.32 mm/0.5 μm, H2, 35. C @ 5. min, 5. K/min, 250. C @ 20. min
Capillary	Innowax	950.	Petersen, Poll, et al., 1998	30. m/0.25 mm/0.25 μm, 40. C @ 10. min, 6. K/min, 240. C @ 25. min
Capillary	DB-Wax	922.	Sekiwa, Kubota, et al., 1997	He, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 180. C
Capillary	DB-Wax	959.	Wada and Shibamoto, 1997	He, 3. K/min, 200. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 50. C
Capillary	PEG-20M	921.	Kubota, Matsujage, et al., 1996	50. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; T_start: 60. C; T_end: 180. C
Capillary	TC-Wax	913.	Shuichi, Masazumi, et al., 1996	80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 240. C
Capillary	DB-Wax	946.	Young, Gilbert, et al., 1996	30. m/0.32 mm/0.50 μm, Hydrogen, 30. C @ 6. min, 3. K/min; T_end: 190. C
Capillary	DB-Wax	932.	Umano, Hagi, et al., 1995	He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	Carbowax 20M	925.	Kawakami, Kobayashi, et al., 1993	He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_end: 180. C
Capillary	DB-Wax	930.	Shimoda, Shiratsuchi, et al., 1993	60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 2. K/min; T_end: 230. C
Capillary	DB-Wax	930.	Shimoda, Shiratsuchi, et al., 1993	60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 2. K/min; T_end: 230. C
Capillary	Carbowax 20M	925.	Kawakami and Kobayashi, 1991	He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_end: 180. C
Capillary	PEG-20M	915.	Kubota, Nakamoto, et al., 1991	N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 180. C
Capillary	Carbowax 20M	900.	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	DB-Wax	927.	Takeoka and Butter, 1989	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 180. C
Capillary	DB-Wax	927.	Takeoka and Butter, 1989	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 180. C
Capillary	DB-Wax	927.	Takeoka and Butter, 1989	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 180. C
Capillary	DB-Wax	936.	Takeoka and Butter, 1989	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 180. C
Capillary	DB-Wax	940.	Takeoka and Butter, 1989	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 180. C
Capillary	DB-Wax	940.	Takeoka and Butter, 1989	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 180. C
Capillary	FFAP	900.	Vernin, Metzger, et al., 1988	He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_end: 240. C
Capillary	BP-20	900.	MacLeod and Snyder, 1985	70. C @ 5. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_end: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	923.	Gyawali and Kim, 2012	60. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C
Capillary	Carbowax 20M	951.	Lee, Chong, et al., 2012	Program: not specified
Capillary	HP-Innowax	942.	Feng, Zhuang, et al., 2011	60. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	929.	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	939.	Povolo, Cabassi, et al., 2011	Program: not specified
Capillary	HP-Innowax	943.	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	Supelko CO Wax	935.	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	932.	Vekiari, Orepoulou, et al., 2010	60. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	923.	Gyawali and Kim, 2009	60. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min)
Capillary	FFAP	912.	Ortiz, Echeverra, et al., 2009	50. m/0.20 mm/0.33 μm, Helium; Program: 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min)
Capillary	Supelcowax 10	928.	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	PEG 20M	910.	Zhang, Zhang, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C
Capillary	Supelcowax-10	932.	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	937.	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	Carbowax 20M	924.	Dury-Brun, Fournier, et al., 2007	Program: not specified
Capillary	DB-Wax	934.	Gonzalez-Rios, Suarez-Quiroz, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
Capillary	DB-Wax	929.	Gonzalez-Rios, Suarez-Quiroz, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified
Capillary	FFAP	932.	Lara, Echeverría, et al., 2007	50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
Capillary	HP-Innowax	930.	Narain, Galvao, et al., 2007	30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)
Capillary	BP-20	929.	Pontes, Marques, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
Capillary	BP-20	929.	Pontes, Marques, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
Capillary	PEG-20M	910.	Zhang C., Zhang H., et al., 2007	30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min)
Capillary	DB-Wax	927.	Gyawalia, Seo, et al., 2006	60. m/0.2 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C
Capillary	Supelcowax-10	905.	Kourkoutas, Bosnea, et al., 2006	60. m/0.32 mm/0.25 μm, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min)
Capillary	Supelcowax-10	905.	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	FFAP	932.	Lara, Graell, et al., 2006	50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)
Capillary	DB-Wax	916.	Mattheis, Fan, et al., 2005	60. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)
Capillary	DB-FFAP	930.	Buettner, 2004	30. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
Capillary	FFAP	932.	Echeverría, Correa, et al., 2004	50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min)
Capillary	DB-Wax	941.	Kim. J.H., Ahn, et al., 2004	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
Capillary	Carbowax 20M	922.	Vinogradov, 2004	Program: not specified
Capillary	Carbowax 20M	940.	Vinogradov, 2004	Program: not specified
Capillary	HP-FFAP	932.	Echeverria, Fuentes, et al., 2003	50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min)
Capillary	FFAP	936.	Lopez, Lavilla, et al., 2000	50. m/0.2 mm/0.33 μm, N2; Program: 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min)
Capillary	Cross-linked FFAP	936.	Lavilla, Puy, et al., 1999	50. m/0.2 mm/0.33 μm, N2; Program: 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min)
Capillary	Supelcowax-10	950.	Forney and Jordan, 1998	60. m/0.53 mm/1. μm, He; Program: 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min)
Capillary	CP-Wax 52CB	926.	Jakobsen, Hansen, et al., 1998	50. m/0.25 mm/0.2 μm, He; Program: 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min)
Capillary	FFAP	936.	López, Lavilla, et al., 1998	50. m/0.2 mm/0.33 μm, N2; Program: 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min)
Capillary	Polyethylene Glycol	925.	Zenkevich, Korolenko, et al., 1995	Program: not specified
Capillary	DB-Wax	934.	Mattheis, Buchanan, et al., 1992	60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
Capillary	DB-Wax	934.	Mattheis, Buchanan, et al., 1992	60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
Capillary	DB-Wax	944.	Peng, Yang, et al., 1991, 2	Program: not specified
Capillary	Carbowax 20M	900.	Shibamoto, 1987	Program: not specified
Capillary	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	940.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 20M	919.	Ramsey and Flanagan, 1982	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
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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