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:
- Reaction thermochemistry data: reactions 51 to 77
- Gas Chromatography
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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-66.1 ± 0.5	kcal/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-326.86 ± 0.06	kcal/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; Corresponding Δ_fHº_liquid = -66.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-326.71 ± 0.10	kcal/mol	Ccb	Green, 1960	Corresponding Δ_fHº_liquid = -66.34 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-327.65	kcal/mol	Ccb	Parks, 1925	Corresponding Δ_fHº_liquid = -65.40 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-327.041	kcal/mol	Ccb	Richards and Davis, 1920	At 291 K; Corresponding Δ_fHº_liquid = -66.006 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-327.10	kcal/mol	Ccb	Emery and Benedict, 1911	Corresponding Δ_fHº_liquid = -65.94 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	38.207	cal/mol*K	N/A	Haida, Suga, et al., 1977	DH
S°_liquid	38.530	cal/mol*K	N/A	Green J.H.S., 1961	DH
S°_liquid	38.41	cal/mol*K	N/A	Kelley, 1929	DH
S°_liquid	42.30	cal/mol*K	N/A	Parks, 1925	Extrapolation below 90 K, 55.19 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
26.86	298.15	Petrov, Peshekhodov, et al., 1989	T = 258.15, 278.15, 298.15, 318.15 K.; DH
26.656	298.15	Andreoli-Ball, Patterson, et al., 1988	DH
26.855	298.15	Ogawa and Murakami, 1986	DH
26.931	298.15	Tanaka, Toyama, et al., 1986	DH
26.413	298.15	Ogawa and Murakami, 1985	DH
27.70	298.15	Stephens and Olson, 1984	T = 266 to 318 K. Cp given as 0.6011 cal/g*K.; DH
26.929	298.15	Zegers and Somsen, 1984	DH
25.829	288.15	Benson and D'Arcy, 1982	DH
27.187	298.15	Villamanan, Casanova, et al., 1982	DH
26.804	298.15	Brown and Ziegler, 1979	T = 159 to 306 K. Results as equation only.; DH
26.840	298.15	Vesely, Zabransky, et al., 1979	DH
26.89	298.15	Haida, Suga, et al., 1977	T = 14 to 300 K. Also glass, supercooled liquid, metastable crystal.; DH
26.840	298.15	Vesely, Svoboda, et al., 1977	T = 298 to 318 K.; DH
26.848	298.15	Fortier, Benson, et al., 1976	DH
26.7911	298.15	Fortier and Benson, 1976	DH
26.723	298.15	Pedersen, Kay, et al., 1975	T = 298 to 348 K. Cp(liq) = 98.39 + 0.5368(T/K-273.25) J/mol*K (298 to 348 K).; DH
28.30	313.2	Paz Andrade, Paz, et al., 1970	DH
23.31	250.	Nikolaev, Rabinovich, et al., 1967	T = 80 to 250 K.; DH
26.7820	297.359	Hwa and Ziegler, 1966	T = 165 to 304 K. Unsmoothed experimental datum.; DH
26.831	298.	Rabinovich and Nikolaev, 1962	T = 15 to 55°C.; DH
26.759	298.15	Green J.H.S., 1961	T = 16 to 350 K.; DH
28.39	316.	Swietoslawski and Zielenkiewicz, 1960	Mean value 21 to 66°C.; DH
27.41	297.8	Mazur, 1940	T = 174 to 298 K. Unsmoothed experimental datum. Cp(liq) = 0.5437 + 0.001858t + 0.0000098t2 cal/gK. Cp(298.15 K) = 114.9 J/molK, calculated from equation.; DH
26.70	298.	Bykov, 1939	DH
24.69	298.	Ernst, Watkins, et al., 1936	DH
28.375	313.15	Fiock, Ginnings, et al., 1931	T = 40 to 110°C.; DH
26.260	294.31	Kelley, 1929	T = 16 to 298 K. Value is unsmoothed experimental datum.; DH
25.41	270.	Mitsukuri and Hara, 1929	T = 190 to 270 K.; DH
38.41	298.1	Parks, Kelley, et al., 1929	Extrapolation below 90 K, 38.9 J/mol*K. Revision of previous data.; DH
27.10	298.0	Parks, 1925	T = 87 to 298 K. Value is unsmoothed experimental datum.; DH
27.51	303.	Willams and Daniels, 1924	T = 303 to 333 K. Equation only.; DH
24.47	271.4	Gibson, Parks, et al., 1920	T = 85 to 271.4 K. Unsmoothed experimental datum. Data also given for the glassy state from 85.9 to 96.3 K.; DH
26.79	298.	von Reis, 1881	T = 288 to 346 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity	Value	Units	Method	Reference	Comment
T_boil	351.5 ± 0.2	K	AVG	N/A	Average of 138 out of 148 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	159. ± 2.	K	AVG	N/A	Average of 11 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	150. ± 20.	K	AVG	N/A	Average of 8 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_c	514. ± 7.	K	AVG	N/A	Average of 37 out of 38 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	62. ± 4.	atm	AVG	N/A	Average of 18 out of 19 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
V_c	0.168	l/mol	N/A	Gude and Teja, 1995
Quantity	Value	Units	Method	Reference	Comment
ρ_c	6.0 ± 0.2	mol/l	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	10.1 ± 0.1	kcal/mol	AVG	N/A	Average of 12 out of 13 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
9.216	351.5	N/A	Majer and Svoboda, 1985
9.97	326.	N/A	Mejia, Segura, et al., 2010	Based on data from 311. to 351. K.; AC
9.39	338.	N/A	Aucejo, Loras, et al., 1999	Based on data from 323. to 357. K.; AC
9.73	321.	EB	Diogo, Santos, et al., 1995	Based on data from 309. to 343. K.; AC
9.68	357.	N/A	Ortega, Susial, et al., 1990	Based on data from 342. to 357. K.; AC
8.41	393.	C	Vine and Wormald, 1989	AC
7.31	423.	C	Vine and Wormald, 1989	AC
6.14	453.	C	Vine and Wormald, 1989	AC
5.21	473.	C	Vine and Wormald, 1989	AC
4.13	493.	C	Vine and Wormald, 1989	AC
3.39	503.	C	Vine and Wormald, 1989	AC
9.78	320.	C	Dong, Lin, et al., 1988	AC
9.66	328.	C	Dong, Lin, et al., 1988	AC
9.61	335.	C	Dong, Lin, et al., 1988	AC
9.42	344.	C	Dong, Lin, et al., 1988	AC
9.27	351.	C	Dong, Lin, et al., 1988	AC
9.87	335.	A	Stephenson and Malanowski, 1987	Based on data from 320. to 359. K.; AC
10.9	256.	A	Stephenson and Malanowski, 1987	Based on data from 210. to 271. K.; AC
11.	208.	A	Stephenson and Malanowski, 1987	Based on data from 193. to 223. K.; AC
9.87	335.	A	Stephenson and Malanowski, 1987	Based on data from 320. to 359. K.; AC
9.58	361.	A	Stephenson and Malanowski, 1987	Based on data from 349. to 374. K.; AC
9.35	385.	A	Stephenson and Malanowski, 1987	Based on data from 370. to 464. K.; AC
8.63	474.	A	Stephenson and Malanowski, 1987	Based on data from 459. to 514. K.; AC
10.2	307.	A	Stephenson and Malanowski, 1987	Based on data from 292. to 353. K.; AC
10.2	308.	A,EB	Stephenson and Malanowski, 1987	Based on data from 293. to 366. K. See also Ambrose, Counsell, et al., 1970.; AC
10.3	286.	N/A	Wilhoit and Zwolinski, 1973	Based on data from 271. to 373. K.; AC
9.80 ± 0.02	320.	C	Counsell, Fenwick, et al., 1970	AC
9.56 ± 0.02	335.	C	Counsell, Fenwick, et al., 1970	AC
9.25 ± 0.02	351.	C	Counsell, Fenwick, et al., 1970	AC
10.1	303.	N/A	Van Ness, Soczek, et al., 1967	Based on data from 288. to 348. K.; AC
10.1	313.	N/A	Kretschmer and Wiebe, 1949	Based on data from 298. to 351. K.; AC
9.56	351.	N/A	Oguri, Anjo, et al., 1934	AC
12.9	301.	N/A	Kahlbaum, 1883	Based on data from 286. to 351. K.; AC

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
T_r = reduced temperature (T / T_c)

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Temperature (K)	298. to 469.
A (kcal/mol)	12.05
α	-0.4475
β	0.4989
T_c (K)	513.9
Reference	Majer and Svoboda, 1985

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)

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Temperature (K)	A	B	C	Reference	Comment
364.8 to 513.91	4.91960	1432.526	-61.819	Ambrose, Sprake, et al., 1975	Coefficents calculated by NIST from author's data.
292.77 to 366.63	5.24106	1598.673	-46.424	Ambrose and Sprake, 1970	Coefficents calculated by NIST from author's data.
273. to 351.70	5.36658	1670.409	-40.191	Kretschmer and Wiebe, 1949	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Reference	Comment
1.189	159.	Yoshida, 1944	DH
1.200	158.5	Kelley, 1929	DH
1.106	156.2	Gibson, Parks, et al., 1920	DH
1.11	158.8	Domalski and Hearing, 1996	AC
1.186	158.7	Parks, 1925	DH

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
7.48	159.	Yoshida, 1944	DH
7.572	158.5	Kelley, 1929	DH
5.072	158.7	Parks, 1925	DH

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
6.730	111.4	Domalski and Hearing, 1996	CAL
6.991	158.8
1.2	127.5
7.41	159.

Enthalpy of phase transition

ΔH_trs (kcal/mol)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
0.158	127.5	crystaline, II	liquid	Haida, Suga, et al., 1977	DH
1.179	159.00	crystaline, I	liquid	Haida, Suga, et al., 1977	DH
0.7500	111.4	crystaline, II	crystaline, I	Nikolaev, Rabinovich, et al., 1967	DH
1.110	158.8	crystaline, I	liquid	Nikolaev, Rabinovich, et al., 1967	DH

Entropy of phase transition

ΔS_trs (cal/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
1.24	127.5	crystaline, II	liquid	Haida, Suga, et al., 1977	DH
7.412	159.00	crystaline, I	liquid	Haida, Suga, et al., 1977	DH
6.733	111.4	crystaline, II	crystaline, I	Nikolaev, Rabinovich, et al., 1967	DH
6.989	158.8	crystaline, I	liquid	Nikolaev, Rabinovich, et al., 1967	DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference	Comment
120.		Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
200.		X	N/A
190.	6600.	M	N/A
200.		X	N/A	Value given here as quoted by missing citation.
230.		M	N/A
150.	6400.	X	N/A
220.		M	N/A
160.		M,X	Timmermans, 1960	Value given here as quoted by missing citation.
190.		M	Butler, Ramchandani, et al., 1935

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

liquid; Bruker Vertex 70 FTIR; 0.48217186 cm^-1 resolution

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

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	NIST Mass Spectrometry Data Center, 1990.
NIST MS number	118507

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Notes

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
IE (evaluated)	Recommended ionization energy
P_c	Critical pressure
S°_liquid	Entropy of liquid at standard conditions
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
V_c	Critical volume
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
ΔH_trs	Enthalpy of phase transition
ΔS_trs	Entropy of phase transition
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
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
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
ρ_c	Critical density

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Ethanol

Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Phase change data

Enthalpy of vaporization

Enthalpy of vaporization

Antoine Equation Parameters

Enthalpy of fusion

Entropy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

Reaction thermochemistry data

Reactions 1 to 50

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

Proton affinity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

Anion protonation reactions

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

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Additional Data

References

Notes