Ethanol

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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 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
Δfgas-56.0 ± 0.5kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δcgas-326.56 ± 0.1kcal/molCmRossini, 1932Flame Calorimetry; Corresponding Δfgas = -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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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
Δfliquid-66.1 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δcliquid-326.86 ± 0.06kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding Δfliquid = -66.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-326.71 ± 0.10kcal/molCcbGreen, 1960Corresponding Δfliquid = -66.34 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-327.65kcal/molCcbParks, 1925Corresponding Δfliquid = -65.40 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-327.041kcal/molCcbRichards and Davis, 1920At 291 K; Corresponding Δfliquid = -66.006 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-327.10kcal/molCcbEmery and Benedict, 1911Corresponding Δfliquid = -65.94 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid38.207cal/mol*KN/AHaida, Suga, et al., 1977DH
liquid38.530cal/mol*KN/AGreen J.H.S., 1961DH
liquid38.41cal/mol*KN/AKelley, 1929DH
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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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
Δvap10.1 ± 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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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
Δr32.0kcal/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
Δr32.2kcal/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
Δr28.5cal/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
Δr28.5cal/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
Δr23.5kcal/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
Δr23.7kcal/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
Δr27.6 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Δr28.1 ± 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
Δr26.8cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Δr29.3cal/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
Δr19.6 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Δr19.0 ± 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
Δr20.1kcal/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
Δr-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
Δr17.90 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr17.60 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Δr17.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr23.1cal/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
Δr10.65kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr10.5 ± 2.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr10.5 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Δr10.4 ± 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
Δr379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Δr378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Δr371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr370.8 ± 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
Δr29.5kcal/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
Δr26.0cal/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
Δr21.7kcal/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
Δr30.5kcal/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
Δr28.6cal/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
Δr22.0kcal/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
Δr26.6 ± 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
Δr29.3cal/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
Δr17.9 ± 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
Δr27.4 ± 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
Δr29.3cal/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
Δr18.7 ± 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
Δr31.9kcal/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
Δr28.2cal/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
Δr23.5kcal/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
Δr32.40 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr31.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Δr32.5 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr24.9cal/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
Δr24.74kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr24.1 ± 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
Δr17.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Δr17.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr24.5cal/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
Δr10.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr10.0 ± 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
Δr13.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr12.1 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.9cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr6.11kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr6.4 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Δr6.0 ± 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
Δr42.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr30.3cal/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
Δr16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Δr16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Δr10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

C3H9Sn+ + Ethanol = (C3H9Sn+ • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr34.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr32.2cal/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
Δr26.3 ± 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
Δr17.6 ± 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
Δr13.90 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr12.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.8cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr5.16kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr5.1 ± 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
Δr15.30 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr16.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr7.34kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr8.3 ± 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
Δr8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.4 ± 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
Δr9.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.5 ± 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
Δr21.3kcal/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.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
Δr26.3 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr24.4 ± 0.9kcal/molCIDTArmentrout and Rodgers, 2000RCD
Δr24.4 ± 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
Δr23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr23.1 ± 1.1kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr23.3 ± 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
Δr-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
Δr-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
Δr14.10 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr8.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr8.8 ± 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
Δr-19.44 ± 0.34kcal/molChydWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; ALS
Δr-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
Δr12.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr29.5cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr3.2 ± 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
Δr11.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr30.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr2.3 ± 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
Δr11.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.8 ± 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
Δr9.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.7 ± 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
Δr9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.6 ± 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
Δr20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr11.9 ± 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
Δr-7.65kcal/molCmSola, Pericas, et al., 1995liquid phase; ALS
Δr-7.65kcal/molKinSola, Pericas, et al., 1995liquid phase; ALS
Δr-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
Δr17.57 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B

Iodide + 2Ethanol = C4H12IO2-

By formula: I- + 2C2H6O = C4H12IO2-

Quantity Value Units Method Reference Comment
Δr10.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr4.42kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 2Ethanol = C4H12BrO2-

By formula: Br- + 2C2H6O = C4H12BrO2-

Quantity Value Units Method Reference Comment
Δr11.50 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr5.72kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Ethanol = C6H18IO3-

By formula: I- + 3C2H6O = C6H18IO3-

Quantity Value Units Method Reference Comment
Δr8.40 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr3.51kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 3Ethanol = C6H18BrO3-

By formula: Br- + 3C2H6O = C6H18BrO3-

Quantity Value Units Method Reference Comment
Δr9.50 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr4.37kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C2H6FO- + 2Ethanol = C4H12FO2-

By formula: C2H6FO- + 2C2H6O = C4H12FO2-

Quantity Value Units Method Reference Comment
Δr20.60 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr12.10kcal/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
Δr-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
Δr15.60 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr8.12kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

phenoxide anion + Ethanol = C8H11O2-

By formula: C6H5O- + C2H6O = C8H11O2-

Quantity Value Units Method Reference Comment
Δr19.3 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr11.2 ± 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
Δr19.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/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
Δr-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
Δr23.7 ± 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
Δr63. ± 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
Δr-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
Δr-10.68 ± 0.16kcal/molCmGuthrie and Pike, 1987liquid 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 compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

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

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
120. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
200. XN/A 
190.6600.MN/A 
200. XN/AValue given here as quoted by missing citation.
230. MN/A 
150.6400.XN/A 
220. MN/A 
160. M,XTimmermans, 1960Value given here as quoted by missing citation.
190. MButler, 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 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
Δr379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Δr378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Δr371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr370.8 ± 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
Δr379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Δr378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Δr371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Δr370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas 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 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:
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

Bromine anion + Ethanol = C2H6BrO-

By formula: Br- + C2H6O = C2H6BrO-

Quantity Value Units Method Reference Comment
Δr14.10 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr8.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr8.8 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Bromine anion + 2Ethanol = C4H12BrO2-

By formula: Br- + 2C2H6O = C4H12BrO2-

Quantity Value Units Method Reference Comment
Δr11.50 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr5.72kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 3Ethanol = C6H18BrO3-

By formula: Br- + 3C2H6O = C6H18BrO3-

Quantity Value Units Method Reference Comment
Δr9.50 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr4.37kcal/molTDAsBogdanov, Peschke, et al., 1999gas 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
Δr21.3kcal/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.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

CN- + Ethanol = (CN- • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr17.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Δr17.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr24.5cal/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
Δr10.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr10.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

MeCO2 anion + Ethanol = (MeCO2 anion • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

C2H4NO2- + Ethanol = C4H10NO3-

By formula: C2H4NO2- + C2H6O = C4H10NO3-

Quantity Value Units Method Reference Comment
Δr17.57 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr9.8 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas 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
Δr29.5kcal/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
Δr26.0cal/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
Δr21.7kcal/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

C2H5O- + Ethanol = (C2H5O- • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr27.6 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Δr28.1 ± 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
Δr26.8cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Δr29.3cal/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
Δr19.6 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Δr19.0 ± 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
Δr20.1kcal/molICRMcIver, Scott, et al., 1973gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M

C2H6FO- + 2Ethanol = C4H12FO2-

By formula: C2H6FO- + 2C2H6O = C4H12FO2-

Quantity Value Units Method Reference Comment
Δr20.60 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr12.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas 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
Δr32.0kcal/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
Δr32.2kcal/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
Δr28.5cal/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
Δr28.5cal/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
Δr23.5kcal/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
Δr23.7kcal/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

C3H7O- + Ethanol = (C3H7O- • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr27.4 ± 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
Δr29.3cal/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
Δr18.7 ± 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
Δr30.5kcal/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
Δr28.6cal/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
Δr22.0kcal/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

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
Δr31.9kcal/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
Δr28.2cal/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
Δr23.5kcal/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

C3H9Si+ + Ethanol = (C3H9Si+ • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr42.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr30.3cal/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

C3H9Sn+ + Ethanol = (C3H9Sn+ • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr34.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr32.2cal/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

C4H9O- + Ethanol = (C4H9O- • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr26.6 ± 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
Δr29.3cal/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
Δr17.9 ± 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

C4H12FO2- + 3Ethanol = C6H18FO3-

By formula: C4H12FO2- + 3C2H6O = C6H18FO3-

Quantity Value Units Method Reference Comment
Δr15.60 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr8.12kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C5H11O- + Ethanol = (C5H11O- • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr26.3 ± 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
Δr17.6 ± 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

phenoxide anion + Ethanol = (phenoxide anion • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr19.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

phenoxide anion + Ethanol = C8H11O2-

By formula: C6H5O- + C2H6O = C8H11O2-

Quantity Value Units Method Reference Comment
Δr19.3 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr11.2 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

Chlorine anion + Ethanol = (Chlorine anion • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr17.90 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr17.60 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Δr17.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Δr23.1cal/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
Δr10.65kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr10.5 ± 2.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr10.5 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Δr10.4 ± 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

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

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

Quantity Value Units Method Reference Comment
Δr15.30 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr16.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr7.34kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr8.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr13.90 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr12.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.8cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr5.16kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr5.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr29.5cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr3.2 ± 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
Δr11.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr30.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr2.3 ± 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
Δr11.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.8 ± 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
Δr9.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.7 ± 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
Δr9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr25.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr9.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

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

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

Quantity Value Units Method Reference Comment
Δr8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + Ethanol = C2H5D6FO-

By formula: F- + C2H6O = C2H5D6FO-

Quantity Value Units Method Reference Comment
Δr23.7 ± 2.0kcal/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Fluorine anion + Ethanol = (Fluorine anion • Ethanol)

By formula: F- + C2H6O = (F- • C2H6O)

Quantity Value Units Method Reference Comment
Δr32.40 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr31.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Δr32.5 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr24.9cal/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
Δr24.74kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr24.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

HS- + Ethanol = (HS- • Ethanol)

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

Quantity Value Units Method Reference Comment
Δr16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Δr16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Δr10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

Iodide + Ethanol = (Iodide • Ethanol)

By formula: I- + C2H6O = (I- • C2H6O)

Quantity Value Units Method Reference Comment
Δr13.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr12.1 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.9cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr6.11kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Δr6.4 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Δr6.0 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

Iodide + 2Ethanol = C4H12IO2-

By formula: I- + 2C2H6O = C4H12IO2-

Quantity Value Units Method Reference Comment
Δr10.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr4.42kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Ethanol = C6H18IO3-

By formula: I- + 3C2H6O = C6H18IO3-

Quantity Value Units Method Reference Comment
Δr8.40 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr3.51kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr39.2 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD

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

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

Quantity Value Units Method Reference Comment
Δr63. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

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

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

Quantity Value Units Method Reference Comment
Δr26.3 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr24.4 ± 0.9kcal/molCIDTArmentrout and Rodgers, 2000RCD
Δr24.4 ± 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
Δr23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr23.1 ± 1.1kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr23.3 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor 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

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


Mass spectrum (electron ionization)

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, References, Notes

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

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

Spectrum

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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

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

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Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Friedman, Long, et al., 1957
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Holmes, Terlouw, et al., 1976
Holmes, J.L.; Terlouw, J.K.; Lossing, F.P., The thermochemistry of C2H4O+ ions, J. Phys. Chem., 1976, 80, 2860. [all data]

Solka and Russell, 1974
Solka, B.H.; Russell, M.E., Energetics of formation of some structural isomers of gaseous C2H5O+ C2H6N+ ions, J. Phys. Chem., 1974, 78, 1268. [all data]

Ruscic and Berkowitz, 1994
Ruscic, B.; Berkowitz, J., The heats of formation of some C2H5O+ isomers, relevant bond energies in ethanol and PA(CH3CHO), J. Chem. Phys., 1994, 101, 10936. [all data]

Lewis and Hamill, 1970
Lewis, D.; Hamill, W.H., Excited states of neutral molecular fragments from appearance potentials by electron impact in a mass spectrometer, J. Chem. Phys., 1970, 52, 6348. [all data]

Niwa, Nishimura, et al., 1982
Niwa, Y.; Nishimura, T.; Tsuchiya, T., Ionic dissociation of ethanol studied by photoelectron-photoion coincidence spectroscopy, Int. J. Mass Spectrom. Ion Processes, 1982, 42, 91. [all data]

Haney and Franklin, 1969, 2
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Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]


Notes

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