Ethanol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
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
ΔfH°gas-56.0 ± 0.5kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
ΔcH°gas-326.56 ± 0.1kcal/molCmRossini, 1932Flame Calorimetry; Corresponding ΔfHºgas = -66.491 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.87250.Thermodynamics Research Center, 1997p=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
9.967100.
11.22150.
12.43200.
14.69273.15
15.59 ± 0.033298.15
15.65300.
19.41400.
22.89500.
25.870600.
28.401700.
30.574800.
32.459900.
34.1011000.
35.5351100.
36.7881200.
37.8801300.
38.8381400.
39.6771500.
41.351750.
42.592000.
43.502250.
44.192500.
44.72750.
45.23000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
12.28 ± 0.12200.Stromsoe E., 1970Experimental 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/mol*K. 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 ± 0.13279.
14.84 ± 0.10280.
17.48350.01
18.09 ± 0.26356.55
17.82360.00
18.26 ± 0.26361.75
18.05367.9
18.16370.01
18.58 ± 0.26371.85
18.51380.00
19.07 ± 0.26387.25
19.12 ± 0.26388.85
19.22400.08
19.60410.16
19.93422.
20.10425.09
20.54 ± 0.26433.25
21.03437.
20.86 ± 0.26443.35
20.95450.08
21.78475.12
21.80476.
22.04 ± 0.26480.45
23.76 ± 0.26534.35
24.22 ± 0.26548.75
24.97 ± 0.26572.25
25.58 ± 0.26591.25

Condensed phase thermochemistry data

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Quantity Value Units Method Reference Comment
ΔfH°liquid-66.1 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔcH°liquid-326.86 ± 0.06kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding ΔfHºliquid = -66.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-326.71 ± 0.10kcal/molCcbGreen, 1960Corresponding ΔfHºliquid = -66.34 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-327.65kcal/molCcbParks, 1925Corresponding ΔfHºliquid = -65.40 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-327.041kcal/molCcbRichards and Davis, 1920At 291 K; Corresponding ΔfHºliquid = -66.006 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
ΔcH°liquid-327.10kcal/molCcbEmery and Benedict, 1911Corresponding ΔfHºliquid = -65.94 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
S°liquid38.207cal/mol*KN/AHaida, Suga, et al., 1977DH
S°liquid38.530cal/mol*KN/AGreen J.H.S., 1961DH
S°liquid38.41cal/mol*KN/AKelley, 1929DH
S°liquid42.30cal/mol*KN/AParks, 1925Extrapolation below 90 K, 55.19 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
26.86298.15Petrov, Peshekhodov, et al., 1989T = 258.15, 278.15, 298.15, 318.15 K.; DH
26.656298.15Andreoli-Ball, Patterson, et al., 1988DH
26.855298.15Ogawa and Murakami, 1986DH
26.931298.15Tanaka, Toyama, et al., 1986DH
26.413298.15Ogawa and Murakami, 1985DH
27.70298.15Stephens and Olson, 1984T = 266 to 318 K. Cp given as 0.6011 cal/g*K.; DH
26.929298.15Zegers and Somsen, 1984DH
25.829288.15Benson and D'Arcy, 1982DH
27.187298.15Villamanan, Casanova, et al., 1982DH
26.804298.15Brown and Ziegler, 1979T = 159 to 306 K. Results as equation only.; DH
26.840298.15Vesely, Zabransky, et al., 1979DH
26.89298.15Haida, Suga, et al., 1977T = 14 to 300 K. Also glass, supercooled liquid, metastable crystal.; DH
26.840298.15Vesely, Svoboda, et al., 1977T = 298 to 318 K.; DH
26.848298.15Fortier, Benson, et al., 1976DH
26.7911298.15Fortier and Benson, 1976DH
26.723298.15Pedersen, Kay, et al., 1975T = 298 to 348 K. Cp(liq) = 98.39 + 0.5368(T/K-273.25) J/mol*K (298 to 348 K).; DH
28.30313.2Paz Andrade, Paz, et al., 1970DH
23.31250.Nikolaev, Rabinovich, et al., 1967T = 80 to 250 K.; DH
26.7820297.359Hwa and Ziegler, 1966T = 165 to 304 K. Unsmoothed experimental datum.; DH
26.831298.Rabinovich and Nikolaev, 1962T = 15 to 55°C.; DH
26.759298.15Green J.H.S., 1961T = 16 to 350 K.; DH
28.39316.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 66°C.; DH
27.41297.8Mazur, 1940T = 174 to 298 K. Unsmoothed experimental datum. Cp(liq) = 0.5437 + 0.001858t + 0.0000098t2 cal/g*K. Cp(298.15 K) = 114.9 J/mol*K, calculated from equation.; DH
26.70298.Bykov, 1939DH
24.69298.Ernst, Watkins, et al., 1936DH
28.375313.15Fiock, Ginnings, et al., 1931T = 40 to 110°C.; DH
26.260294.31Kelley, 1929T = 16 to 298 K. Value is unsmoothed experimental datum.; DH
25.41270.Mitsukuri and Hara, 1929T = 190 to 270 K.; DH
38.41298.1Parks, Kelley, et al., 1929Extrapolation below 90 K, 38.9 J/mol*K. Revision of previous data.; DH
27.10298.0Parks, 1925T = 87 to 298 K. Value is unsmoothed experimental datum.; DH
27.51303.Willams and Daniels, 1924T = 303 to 333 K. Equation only.; DH
24.47271.4Gibson, Parks, et al., 1920T = 85 to 271.4 K. Unsmoothed experimental datum. Data also given for the glassy state from 85.9 to 96.3 K.; DH
26.79298.von Reis, 1881T = 288 to 346 K.; DH

Phase change data

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
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
Tboil351.5 ± 0.2KAVGN/AAverage of 138 out of 148 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus159. ± 2.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple150. ± 20.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tc514. ± 7.KAVGN/AAverage of 37 out of 38 values; Individual data points
Quantity Value Units Method Reference Comment
Pc62. ± 4.atmAVGN/AAverage of 18 out of 19 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.168l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
ρc6.0 ± 0.2mol/lAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
ΔvapH°10.1 ± 0.1kcal/molAVGN/AAverage of 12 out of 13 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.216351.5N/AMajer and Svoboda, 1985 
9.97326.N/AMejia, Segura, et al., 2010Based on data from 311. to 351. K.; AC
9.39338.N/AAucejo, Loras, et al., 1999Based on data from 323. to 357. K.; AC
9.73321.EBDiogo, Santos, et al., 1995Based on data from 309. to 343. K.; AC
9.68357.N/AOrtega, Susial, et al., 1990Based on data from 342. to 357. K.; AC
8.41393.CVine and Wormald, 1989AC
7.31423.CVine and Wormald, 1989AC
6.14453.CVine and Wormald, 1989AC
5.21473.CVine and Wormald, 1989AC
4.13493.CVine and Wormald, 1989AC
3.39503.CVine and Wormald, 1989AC
9.78320.CDong, Lin, et al., 1988AC
9.66328.CDong, Lin, et al., 1988AC
9.61335.CDong, Lin, et al., 1988AC
9.42344.CDong, Lin, et al., 1988AC
9.27351.CDong, Lin, et al., 1988AC
9.87335.AStephenson and Malanowski, 1987Based on data from 320. to 359. K.; AC
10.9256.AStephenson and Malanowski, 1987Based on data from 210. to 271. K.; AC
11.208.AStephenson and Malanowski, 1987Based on data from 193. to 223. K.; AC
9.87335.AStephenson and Malanowski, 1987Based on data from 320. to 359. K.; AC
9.58361.AStephenson and Malanowski, 1987Based on data from 349. to 374. K.; AC
9.35385.AStephenson and Malanowski, 1987Based on data from 370. to 464. K.; AC
8.63474.AStephenson and Malanowski, 1987Based on data from 459. to 514. K.; AC
10.2307.AStephenson and Malanowski, 1987Based on data from 292. to 353. K.; AC
10.2308.A,EBStephenson and Malanowski, 1987Based on data from 293. to 366. K. See also Ambrose, Counsell, et al., 1970.; AC
10.3286.N/AWilhoit and Zwolinski, 1973Based on data from 271. to 373. K.; AC
9.80 ± 0.02320.CCounsell, Fenwick, et al., 1970AC
9.56 ± 0.02335.CCounsell, Fenwick, et al., 1970AC
9.25 ± 0.02351.CCounsell, Fenwick, et al., 1970AC
10.1303.N/AVan Ness, Soczek, et al., 1967Based on data from 288. to 348. K.; AC
10.1313.N/AKretschmer and Wiebe, 1949Based on data from 298. to 351. K.; AC
9.56351.N/AOguri, Anjo, et al., 1934AC
12.9301.N/AKahlbaum, 1883Based on data from 286. to 351. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 298. to 469.
A (kcal/mol) 12.05
α -0.4475
β 0.4989
Tc (K) 513.9
ReferenceMajer 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 513.914.919601432.526-61.819Ambrose, Sprake, et al., 1975Coefficents calculated by NIST from author's data.
292.77 to 366.635.241061598.673-46.424Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
273. to 351.705.366581670.409-40.191Kretschmer and Wiebe, 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.189159.Yoshida, 1944DH
1.200158.5Kelley, 1929DH
1.106156.2Gibson, Parks, et al., 1920DH
1.11158.8Domalski and Hearing, 1996AC
1.186158.7Parks, 1925DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
7.48159.Yoshida, 1944DH
7.572158.5Kelley, 1929DH
5.072158.7Parks, 1925DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
6.730111.4Domalski and Hearing, 1996CAL
6.991158.8
1.2127.5
7.41159.

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.158127.5crystaline, IIliquidHaida, Suga, et al., 1977DH
1.179159.00crystaline, IliquidHaida, Suga, et al., 1977DH
0.7500111.4crystaline, IIcrystaline, INikolaev, Rabinovich, et al., 1967DH
1.110158.8crystaline, IliquidNikolaev, Rabinovich, et al., 1967DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.24127.5crystaline, IIliquidHaida, Suga, et al., 1977DH
7.412159.00crystaline, IliquidHaida, Suga, et al., 1977DH
6.733111.4crystaline, IIcrystaline, INikolaev, Rabinovich, et al., 1967DH
6.989158.8crystaline, IliquidNikolaev, Rabinovich, et al., 1967DH

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, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
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
ΔrH°32.0kcal/molICRLarson and McMahon, 1982gas 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
ΔrH°32.2kcal/molICRBomse and Beauchamp, 1981gas 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
ΔrS°28.5cal/mol*KN/ALarson and McMahon, 1982gas 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
ΔrS°28.5cal/mol*KN/ABomse and Beauchamp, 1981gas 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
ΔrG°23.5kcal/molICRLarson and McMahon, 1982gas 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
ΔrG°23.7kcal/molICRBomse and Beauchamp, 1981gas 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
ΔrH°27.6 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
ΔrH°28.1 ± 2.5kcal/molN/ACaldwell, Rozeboom, et al., 1984gas 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
ΔrS°26.8cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
ΔrS°29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas 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
ΔrG°19.6 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
ΔrG°19.0 ± 1.6kcal/molIMRECaldwell, Rozeboom, et al., 1984gas 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
ΔrG°20.1kcal/molICRMcIver, Scott, et al., 1973gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M

C2H5NaO (cr) + 0.5(Sulfuric Acid • 1100Water) (solution) = Ethanol (solution) + 0.5sodium sulphate (solution)

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

Quantity Value Units Method Reference Comment
ΔrH°-28.30 ± 0.91kcal/molRSCBlanchard, Joly, et al., 1974solvent: 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

Chlorine anion + Ethanol = (Chlorine anion • Ethanol)

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

Quantity Value Units Method Reference Comment
ΔrH°17.90 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°17.60 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
ΔrH°17.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°23.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
ΔrS°23.1cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
ΔrG°10.65kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°10.5 ± 2.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°10.5 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
ΔrG°10.4 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.0295.ICRRiveros, 1974gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
ΔrH°379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
ΔrH°378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrH°377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
ΔrG°371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrG°370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas 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
ΔrH°29.5kcal/molICRLarson and McMahon, 1982gas 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
ΔrS°26.0cal/mol*KN/ALarson and McMahon, 1982gas 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
ΔrG°21.7kcal/molICRLarson and McMahon, 1982gas 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
ΔrH°30.5kcal/molICRLarson and McMahon, 1982gas 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
ΔrS°28.6cal/mol*KN/ALarson and McMahon, 1982gas 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
ΔrG°22.0kcal/molICRLarson and McMahon, 1982gas 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
ΔrH°26.6 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas 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
ΔrS°29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas 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
ΔrG°17.9 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas 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
ΔrH°27.4 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas 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
ΔrS°29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas 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
ΔrG°18.7 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas 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
ΔrH°31.9kcal/molICRBomse and Beauchamp, 1981gas 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
ΔrS°28.2cal/mol*KN/ABomse and Beauchamp, 1981gas 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
ΔrG°23.5kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

Fluorine anion + Ethanol = (Fluorine anion • Ethanol)

By formula: F- + C2H6O = (F- • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°32.40 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°31.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
ΔrH°32.5 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrS°24.9cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
ΔrG°24.74kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°24.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

CN- + Ethanol = (CN- • Ethanol)

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

Quantity Value Units Method Reference Comment
ΔrH°17.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
ΔrH°17.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°22.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
ΔrS°24.5cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
ΔrG°10.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
ΔrG°10.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

Iodide + Ethanol = (Iodide • Ethanol)

By formula: I- + C2H6O = (I- • C2H6O)

Quantity Value Units Method Reference Comment
ΔrH°13.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°12.1 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°18.9cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°6.11kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°6.4 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
ΔrG°6.0 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas 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
ΔrH°42.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°30.3cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
27.9468.PHPMSWojtyniak and Stone, 1986gas 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
ΔrH°16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
ΔrH°16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
ΔrS°19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
ΔrG°10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

C3H9Sn+ + Ethanol = (C3H9Sn+ • Ethanol)

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

Quantity Value Units Method Reference Comment
ΔrH°34.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°32.2cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
17.9525.PHPMSStone and Splinter, 1984gas 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
ΔrH°26.3 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas 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
ΔrG°17.6 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas 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

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

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

Quantity Value Units Method Reference Comment
ΔrH°13.90 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°12.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.8cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°5.16kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°5.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

(Chlorine anion • Ethanol) + Ethanol = (Chlorine anion • 2Ethanol)

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

Quantity Value Units Method Reference Comment
ΔrH°15.30 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrH°16.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°7.34kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°8.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°9.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°1.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas 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
ΔrH°21.3kcal/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.9496.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Sodium ion (1+) + Ethanol = (Sodium ion (1+) • Ethanol)

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

Quantity Value Units Method Reference Comment
ΔrH°26.3 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°24.4 ± 0.9kcal/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°24.4 ± 0.9kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
19.0298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD
0.00.CIDTRodgers and Armentrout, 1999RCD

(Sodium ion (1+) • Ethanol) + Ethanol = (Sodium ion (1+) • 2Ethanol)

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

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

C2H5LiO (cr) + 0.5(Sulfuric Acid • 1100Water) (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
ΔrH°-27.15 ± 0.31kcal/molRSCBlanchard, Joly, et al., 1974solvent: 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(Sulfuric Acid • 1100Water) (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
ΔrH°-31.62 ± 0.69kcal/molRSCBlanchard, Joly, et al., 1974solvent: 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

Bromine anion + Ethanol = C2H6BrO-

By formula: Br- + C2H6O = C2H6BrO-

Quantity Value Units Method Reference Comment
ΔrH°14.10 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°8.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
ΔrG°8.8 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Hydrogen + Acetaldehyde = Ethanol

By formula: H2 + C2H4O = C2H6O

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°29.5cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°30.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°9.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°26.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°25.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

MeCO2 anion + Ethanol = (MeCO2 anion • Ethanol)

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

Quantity Value Units Method Reference Comment
ΔrH°20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

1-Propene, 2-methyl- + Ethanol = Propane, 2-ethoxy-2-methyl-

By formula: C4H8 + C2H6O = C6H14O

Quantity Value Units Method Reference Comment
ΔrH°-7.65kcal/molCmSola, Pericas, et al., 1995liquid phase; ALS
ΔrH°-7.65kcal/molKinSola, Pericas, et al., 1995liquid phase; ALS
ΔrH°-14.9 ± 0.5kcal/molEqkIborra, Izquierdo, et al., 1989gas phase; GC; ALS

C2H4NO2- + Ethanol = C4H10NO3-

By formula: C2H4NO2- + C2H6O = C4H10NO3-

Quantity Value Units Method Reference Comment
ΔrH°17.57 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°9.8 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B

Iodide + 2Ethanol = C4H12IO2-

By formula: I- + 2C2H6O = C4H12IO2-

Quantity Value Units Method Reference Comment
ΔrH°10.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°4.42kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 2Ethanol = C4H12BrO2-

By formula: Br- + 2C2H6O = C4H12BrO2-

Quantity Value Units Method Reference Comment
ΔrH°11.50 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°5.72kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Ethanol = C6H18IO3-

By formula: I- + 3C2H6O = C6H18IO3-

Quantity Value Units Method Reference Comment
ΔrH°8.40 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°3.51kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 3Ethanol = C6H18BrO3-

By formula: Br- + 3C2H6O = C6H18BrO3-

Quantity Value Units Method Reference Comment
ΔrH°9.50 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°4.37kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C2H6FO- + 2Ethanol = C4H12FO2-

By formula: C2H6FO- + 2C2H6O = C4H12FO2-

Quantity Value Units Method Reference Comment
ΔrH°20.60 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°12.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Ethanol + Propanoic acid = Propanoic acid, ethyl ester + Water

By formula: C2H6O + C3H6O2 = C5H10O2 + H2O

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

C4H12FO2- + 3Ethanol = C6H18FO3-

By formula: C4H12FO2- + 3C2H6O = C6H18FO3-

Quantity Value Units Method Reference Comment
ΔrH°15.60 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°8.12kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

phenoxide anion + Ethanol = C8H11O2-

By formula: C6H5O- + C2H6O = C8H11O2-

Quantity Value Units Method Reference Comment
ΔrH°19.3 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°11.2 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

phenoxide anion + Ethanol = (phenoxide anion • Ethanol)

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

Quantity Value Units Method Reference Comment
ΔrH°19.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°27.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

4Ethanol (l) + Titanium tetrachloride (l) = titanium(4+) ethanolate (l) + 4(Hydrogen chloride • 51.3Water) (solution)

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

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

Fluorine anion + Ethanol = C2H5D6FO-

By formula: F- + C2H6O = C2H5D6FO-

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

Magnesium ion (1+) + Ethanol = (Magnesium ion (1+) • Ethanol)

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

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

3Sodium hydroxide + Carbonochloridic acid, ethyl ester = CNa2O3 + Ethanol + sodium chloride + Water

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

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

Acetylimidazole diethyl acetal + Water = Ethyl Acetate + 1H-Imidazole + Ethanol

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

Quantity Value Units Method Reference Comment
ΔrH°-10.68 ± 0.16kcal/molCmGuthrie and Pike, 1987liquid phase; Heat of hydrolysis; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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 ± 0.07eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)185.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity178.kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
186.3 ± 0.2Tabrizchi and Shooshtari, 2003T = 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 ± 0.05EIHolmes and Lossing, 1991LL
10.4PEOhno, Imai, et al., 1985LBLHLM
10.47 ± 0.07EIBowen and Maccoll, 1984LBLHLM
10.3PEOhno, Imai, et al., 1983LBLHLM
10.5EIMishchanchuk, Pokrovskii, et al., 1982LBLHLM
10.7PEVon Niessen, Bieri, et al., 1980LLK
10.49 ± 0.01PIPotapov and Sorokin, 1972LLK
10.46 ± 0.02PECocksey, Eland, et al., 1971LLK
10.65PEBaker, Betteridge, et al., 1971LLK
10.46PEDewar and Worley, 1969RDSH
10.47 ± 0.02PIRefaey and Chupka, 1968RDSH
10.48 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
10.64PEOhno, Imai, et al., 1985Vertical value; LBLHLM
10.64PEUtsunomiya, Kobayashi, et al., 1980Vertical value; LLK
10.65PEHoppilliard and Solgadi, 1980Vertical value; LLK
10.61PEBenoit and Harrison, 1977Vertical value; LLK
10.65 ± 0.03PEPeel and Willett, 1975Vertical value; LLK
10.59PEVovna, Lopatin, et al., 1974Vertical value; LLK
10.04PESchweig and Thiel, 1974Vertical value; LLK
10.62PERobin and Kuebler, 1973Vertical value; LLK
10.64PEKatsumata, Iwai, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22.9 ± 0.5H2+H+CH2OHEIStepanov, Perov, et al., 1988LL
CH2O+11.70CH4PIRefaey and Chupka, 1968RDSH
CH3+14.70 ± 0.10?EIHaney and Franklin, 1969RDSH
CH3O+11.25 ± 0.09CH3EIBowen and Maccoll, 1984LBLHLM
CH3O+11.40 ± 0.06CH3EISelim and Helal, 1981LLK
CH3O+11.30CH3EILossing, 1977LLK
CH3O+11.20 ± 0.05CH3PIPotapov and Sorokin, 1972LLK
CH3O+11.25CH3PIRefaey and Chupka, 1968RDSH
C2H3+14.7?EIFriedman, Long, et al., 1957RDSH
C2H3O+14.5H2+HEIFriedman, Long, et al., 1957RDSH
C2H4+12.0 ± 0.9H2OEIBowen and Maccoll, 1984LBLHLM
C2H4+12.0H2OPIRefaey and Chupka, 1968RDSH
C2H4O+~10.45H2EIHolmes, Terlouw, et al., 1976LLK
C2H5+12.7OHPIRefaey and Chupka, 1968RDSH
C2H5O+10.78 ± 0.09HEIBowen and Maccoll, 1984LBLHLM
C2H5O+10.6HEIMishchanchuk, Pokrovskii, et al., 1982LBLHLM
C2H5O+10.67HEILossing, 1977LLK
C2H5O+10.75 ± 0.03HEISolka and Russell, 1974LLK
C2H5O+10.80 ± 0.05HPIPotapov and Sorokin, 1972LLK
C2H5O+10.78 ± 0.02HPIRefaey and Chupka, 1968RDSH
C2H5O+[CH3CHOH+]10.801 ± 0.005HPIRuscic and Berkowitz, 1994T = 0K; LL
H+21.0 ± 0.5CH2+CH2OHEIStepanov, Perov, et al., 1988LL
H2O+13.06C2H4EILewis and Hamill, 1970RDSH
H3O+13.8H2+C2H3PIPECONiwa, Nishimura, et al., 1982LBLHLM
H3O+14.30 ± 0.02?EIHaney and Franklin, 1969, 2RDSH
O+21.7 ± 0.52CH3EIStepanov, Perov, et al., 1988LL

De-protonation reactions

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
ΔrH°379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
ΔrH°378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrH°377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
ΔrG°371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrG°370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Anion protonation reactions

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
ΔrH°379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
ΔrH°378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrH°377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
ΔrH°379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
ΔrG°371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
ΔrG°370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Notes

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