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Ethanol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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
Deltafgas-56.0 ± 0.5kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacgas-326.56 ± 0.1kcal/molCmRossini, 1932Flame Calorimetry; Corresponding «DELTA»fgas = -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, 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
Deltafliquid-66.1 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacliquid-326.86 ± 0.06kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -66.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-326.71 ± 0.10kcal/molCcbGreen, 1960Corresponding «DELTA»fliquid = -66.34 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-327.65kcal/molCcbParks, 1925Corresponding «DELTA»fliquid = -65.40 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-327.041kcal/molCcbRichards and Davis, 1920At 291 K; Corresponding «DELTA»fliquid = -66.006 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-327.10kcal/molCcbEmery and Benedict, 1911Corresponding «DELTA»fliquid = -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, 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 139 out of 149 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus158.8 ± 0.7KAVGN/AAverage of 11 out of 12 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
rhoc6.0 ± 0.2mol/lAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap10.1 ± 0.1kcal/molAVGN/AAverage of 12 out of 13 values; Individual data points

Enthalpy of vaporization

DeltavapH (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. - 351. K.; AC
9.39338.N/AAucejo, Loras, et al., 1999Based on data from 323. - 357. K.; AC
9.73321.EBDiogo, Santos, et al., 1995Based on data from 309. - 343. K.; AC
9.68357.N/AOrtega, Susial, et al., 1990Based on data from 342. - 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. - 359. K.; AC
10.9256.AStephenson and Malanowski, 1987Based on data from 210. - 271. K.; AC
11.208.AStephenson and Malanowski, 1987Based on data from 193. - 223. K.; AC
9.87335.AStephenson and Malanowski, 1987Based on data from 320. - 359. K.; AC
9.58361.AStephenson and Malanowski, 1987Based on data from 349. - 374. K.; AC
9.35385.AStephenson and Malanowski, 1987Based on data from 370. - 464. K.; AC
8.63474.AStephenson and Malanowski, 1987Based on data from 459. - 514. K.; AC
10.2307.AStephenson and Malanowski, 1987Based on data from 292. - 353. K.; AC
10.2308.A,EBStephenson and Malanowski, 1987Based on data from 293. - 366. K. See also Ambrose, Counsell, et al., 1970.; AC
10.3286.N/AWilhoit and Zwolinski, 1973Based on data from 271. - 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. - 348. K.; AC
10.1313.N/AKretschmer and Wiebe, 1949Based on data from 298. - 351. K.; AC
9.56351.N/AOguri, Anjo, et al., 1934AC
12.9301.N/AKahlbaum, 1883Based on data from 286. - 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. - 469.
A (kcal/mol) 12.05
alpha -0.4475
beta 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 - 513.914.919601432.526-61.819Ambrose, Sprake, et al., 1975Coefficents calculated by NIST from author's data.
292.77 - 366.635.241061598.673-46.424Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
273. - 351.705.366581670.409-40.191Kretschmer and Wiebe, 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (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

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

Entropy of fusion

DeltafusS (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

DeltaHtrs (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

DeltaStrs (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, 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+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar32.0kcal/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
Deltar32.2kcal/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
Deltar28.5cal/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
Deltar28.5cal/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
Deltar23.5kcal/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
Deltar23.7kcal/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- bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar27.6 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Deltar28.1 ± 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
Deltar26.8cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Deltar29.3cal/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
Deltar19.6 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Deltar19.0 ± 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
Deltar20.1kcal/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 bullet 1100Water) (solution) = Ethanol (solution) + 0.5sodium sulphate (solution)

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

Quantity Value Units Method Reference Comment
Deltar-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 bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar17.90 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar17.60 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Deltar17.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar23.1cal/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
Deltar10.65kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Deltar10.4 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Free energy of reaction

DeltarG° (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
Deltar379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Deltar378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Deltar371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

C2H5O+ + Ethanol = (C2H5O+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar29.5kcal/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
Deltar26.0cal/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
Deltar21.7kcal/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+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar30.5kcal/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
Deltar28.6cal/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
Deltar22.0kcal/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- bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar26.6 ± 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
Deltar29.3cal/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
Deltar17.9 ± 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- bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar27.4 ± 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
Deltar29.3cal/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
Deltar18.7 ± 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+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar31.9kcal/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
Deltar28.2cal/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
Deltar23.5kcal/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 bullet Ethanol)

By formula: F- + C2H6O = (F- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar32.40 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar31.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar32.5 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.9cal/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
Deltar24.74kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar24.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

CN- + Ethanol = (CN- bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar17.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Deltar17.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar24.5cal/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
Deltar10.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar10.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

Iodide + Ethanol = (Iodide bullet Ethanol)

By formula: I- + C2H6O = (I- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.1 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.11kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar6.4 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Deltar6.0 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

C3H9Si+ + Ethanol = (C3H9Si+ bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar42.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.3cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (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- bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Deltar16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Deltar19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Deltar10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

C3H9Sn+ + Ethanol = (C3H9Sn+ bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar34.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar32.2cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (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- bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar26.3 ± 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
Deltar17.6 ± 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 bullet 2Ethanol) + Ethanol = (Chlorine anion bullet 3Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar13.90 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.8cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.16kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar5.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar15.30 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar16.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.34kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

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

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

Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

CH6N+ + Ethanol = (CH6N+ bullet Ethanol)

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

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

Quantity Value Units Method Reference Comment
Deltar21.3kcal/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (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+) bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar26.3 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar24.4 ± 0.9kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar24.4 ± 0.9kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (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+) bullet Ethanol) + Ethanol = (Sodium ion (1+) bullet 2Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.1 ± 1.1kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.3 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD

C2H5LiO (cr) + 0.5(Sulfuric Acid bullet 1100Water) (solution) = 0.5Li2O4S (solution) + Ethanol (solution)

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

Quantity Value Units Method Reference Comment
Deltar-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 bullet 1100Water) (solution) = Ethanol (solution) + 0.5K2O4S (solution)

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

Quantity Value Units Method Reference Comment
Deltar-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
Deltar14.10 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.8 ± 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
Deltar-19.44 ± 0.34kcal/molChydWiberg, Crocker, et al., 1991liquid phase; solvent: Triglyme; ALS
Deltar-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 bullet 3Ethanol) + Ethanol = (Chlorine anion bullet 4Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.5cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar11.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

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

Quantity Value Units Method Reference Comment
Deltar9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

MeCO2 anion + Ethanol = (MeCO2 anion bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.9 ± 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
Deltar-7.65kcal/molCmSola, Pericas, et al., 1995liquid phase; ALS
Deltar-7.65kcal/molKinSola, Pericas, et al., 1995liquid phase; ALS
Deltar-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
Deltar17.57 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B

Iodide + 2Ethanol = C4H12IO2-

By formula: I- + 2C2H6O = C4H12IO2-

Quantity Value Units Method Reference Comment
Deltar10.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.42kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 2Ethanol = C4H12BrO2-

By formula: Br- + 2C2H6O = C4H12BrO2-

Quantity Value Units Method Reference Comment
Deltar11.50 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.72kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Ethanol = C6H18IO3-

By formula: I- + 3C2H6O = C6H18IO3-

Quantity Value Units Method Reference Comment
Deltar8.40 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.51kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 3Ethanol = C6H18BrO3-

By formula: Br- + 3C2H6O = C6H18BrO3-

Quantity Value Units Method Reference Comment
Deltar9.50 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.37kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C2H6FO- + 2Ethanol = C4H12FO2-

By formula: C2H6FO- + 2C2H6O = C4H12FO2-

Quantity Value Units Method Reference Comment
Deltar20.60 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar12.10kcal/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
Deltar-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
Deltar15.60 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.12kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

phenoxide anion + Ethanol = C8H11O2-

By formula: C6H5O- + C2H6O = C8H11O2-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

phenoxide anion + Ethanol = (phenoxide anion bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar19.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Deltar-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
Deltar23.7 ± 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+) bullet Ethanol)

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

Quantity Value Units Method Reference Comment
Deltar63. ± 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
Deltar-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
Deltar-10.68 ± 0.16kcal/molCmGuthrie and Pike, 1987liquid phase; Heat of hydrolysis; ALS

IR Spectrum

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

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