Ethanol
- Formula: C2H6O
- Molecular weight: 46.0684
- IUPAC Standard InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
- CAS Registry Number: 64-17-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Ethyl alcohol; Alcohol; Alcohol anhydrous; Algrain; Anhydrol; Denatured ethanol; Ethyl hydrate; Ethyl hydroxide; Jaysol; Jaysol S; Methylcarbinol; SD Alchol 23-hydrogen; Tecsol; C2H5OH; Absolute ethanol; Cologne spirit; Fermentation alcohol; Grain alcohol; Molasses alcohol; Potato alcohol; Aethanol; Aethylalkohol; Alcohol, dehydrated; Alcool ethylique; Alcool etilico; Alkohol; Cologne spirits; Denatured alcohol CD-10; Denatured alcohol CD-5; Denatured alcohol CD-5a; Denatured alcohol SD-1; Denatured alcohol SD-13a; Denatured alcohol SD-17; Denatured alcohol SD-23a; Denatured alcohol SD-28; Denatured alcohol SD-3a; Denatured alcohol SD-30; Denatured alcohol SD-39b; Denatured alcohol SD-39c; Denatured alcohol SD-40m; Etanolo; Ethanol 200 proof; Ethyl alc; Etylowy alkohol; EtOH; NCI-C03134; Spirits of wine; Spirt; Alkoholu etylowego; Ethyl alcohol anhydrous; SD alcohol 23-hydrogen; UN 1170; Tecsol C; Alcare Hand Degermer; Absolute alcohol; Denatured alcohol; Ethanol, silent spirit; Ethylol; Punctilious ethyl alcohol; SD 3A
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- Information on this page:
- Other data available:
- Phase change data
- Reaction thermochemistry data: reactions 51 to 77
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Gas Chromatography
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -56.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -326.56 ± 0.1 | kcal/mol | Cm | Rossini, 1932 | Flame Calorimetry; Corresponding ΔfHºgas = -66.491 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.872 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended entropies and heat capacities are in close agreement with other statistically calculated values [ Zhuravlev E.Z., 1959, Chermin H.A.G., 1961, Green J.H.S., 1961, Green J.H.S., 1961, 2, Chao J., 1986, Gurvich, Veyts, et al., 1989]. Please also see Chao J., 1986, 2.; GT |
9.967 | 100. | ||
11.22 | 150. | ||
12.43 | 200. | ||
14.69 | 273.15 | ||
15.59 ± 0.033 | 298.15 | ||
15.65 | 300. | ||
19.41 | 400. | ||
22.89 | 500. | ||
25.870 | 600. | ||
28.401 | 700. | ||
30.574 | 800. | ||
32.459 | 900. | ||
34.101 | 1000. | ||
35.535 | 1100. | ||
36.788 | 1200. | ||
37.880 | 1300. | ||
38.838 | 1400. | ||
39.677 | 1500. | ||
41.35 | 1750. | ||
42.59 | 2000. | ||
43.50 | 2250. | ||
44.19 | 2500. | ||
44.7 | 2750. | ||
45.2 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.28 ± 0.12 | 200. | Stromsoe E., 1970 | Experimental data [ Bennewitz K., 1938, Eucken A., 1948, Barrow G.M., 1952, Sinke G.C., 1953, Halford J.O., 1957] are collected in ref. [ Green J.H.S., 1961]. Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 1.09 J/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 ± 0.13 | 279. | ||
14.84 ± 0.10 | 280. | ||
17.48 | 350.01 | ||
18.09 ± 0.26 | 356.55 | ||
17.82 | 360.00 | ||
18.26 ± 0.26 | 361.75 | ||
18.05 | 367.9 | ||
18.16 | 370.01 | ||
18.58 ± 0.26 | 371.85 | ||
18.51 | 380.00 | ||
19.07 ± 0.26 | 387.25 | ||
19.12 ± 0.26 | 388.85 | ||
19.22 | 400.08 | ||
19.60 | 410.16 | ||
19.93 | 422. | ||
20.10 | 425.09 | ||
20.54 ± 0.26 | 433.25 | ||
21.03 | 437. | ||
20.86 ± 0.26 | 443.35 | ||
20.95 | 450.08 | ||
21.78 | 475.12 | ||
21.80 | 476. | ||
22.04 ± 0.26 | 480.45 | ||
23.76 ± 0.26 | 534.35 | ||
24.22 ± 0.26 | 548.75 | ||
24.97 ± 0.26 | 572.25 | ||
25.58 ± 0.26 | 591.25 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -66.1 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -326.86 ± 0.06 | kcal/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; Corresponding ΔfHºliquid = -66.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -326.71 ± 0.10 | kcal/mol | Ccb | Green, 1960 | Corresponding ΔfHºliquid = -66.34 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -327.65 | kcal/mol | Ccb | Parks, 1925 | Corresponding ΔfHºliquid = -65.40 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -327.041 | kcal/mol | Ccb | Richards and Davis, 1920 | At 291 K; Corresponding ΔfHºliquid = -66.006 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -327.10 | kcal/mol | Ccb | Emery and Benedict, 1911 | Corresponding ΔfHºliquid = -65.94 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 38.207 | cal/mol*K | N/A | Haida, Suga, et al., 1977 | DH |
S°liquid | 38.530 | cal/mol*K | N/A | Green J.H.S., 1961 | DH |
S°liquid | 38.41 | cal/mol*K | N/A | Kelley, 1929 | DH |
S°liquid | 42.30 | cal/mol*K | N/A | Parks, 1925 | Extrapolation below 90 K, 55.19 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.86 | 298.15 | Petrov, Peshekhodov, et al., 1989 | T = 258.15, 278.15, 298.15, 318.15 K.; DH |
26.656 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
26.855 | 298.15 | Ogawa and Murakami, 1986 | DH |
26.931 | 298.15 | Tanaka, Toyama, et al., 1986 | DH |
26.413 | 298.15 | Ogawa and Murakami, 1985 | DH |
27.70 | 298.15 | Stephens and Olson, 1984 | T = 266 to 318 K. Cp given as 0.6011 cal/g*K.; DH |
26.929 | 298.15 | Zegers and Somsen, 1984 | DH |
25.829 | 288.15 | Benson and D'Arcy, 1982 | DH |
27.187 | 298.15 | Villamanan, Casanova, et al., 1982 | DH |
26.804 | 298.15 | Brown and Ziegler, 1979 | T = 159 to 306 K. Results as equation only.; DH |
26.840 | 298.15 | Vesely, Zabransky, et al., 1979 | DH |
26.89 | 298.15 | Haida, Suga, et al., 1977 | T = 14 to 300 K. Also glass, supercooled liquid, metastable crystal.; DH |
26.840 | 298.15 | Vesely, Svoboda, et al., 1977 | T = 298 to 318 K.; DH |
26.848 | 298.15 | Fortier, Benson, et al., 1976 | DH |
26.7911 | 298.15 | Fortier and Benson, 1976 | DH |
26.723 | 298.15 | Pedersen, Kay, et al., 1975 | T = 298 to 348 K. Cp(liq) = 98.39 + 0.5368(T/K-273.25) J/mol*K (298 to 348 K).; DH |
28.30 | 313.2 | Paz Andrade, Paz, et al., 1970 | DH |
23.31 | 250. | Nikolaev, Rabinovich, et al., 1967 | T = 80 to 250 K.; DH |
26.7820 | 297.359 | Hwa and Ziegler, 1966 | T = 165 to 304 K. Unsmoothed experimental datum.; DH |
26.831 | 298. | Rabinovich and Nikolaev, 1962 | T = 15 to 55°C.; DH |
26.759 | 298.15 | Green J.H.S., 1961 | T = 16 to 350 K.; DH |
28.39 | 316. | Swietoslawski and Zielenkiewicz, 1960 | Mean value 21 to 66°C.; DH |
27.41 | 297.8 | Mazur, 1940 | T = 174 to 298 K. Unsmoothed experimental datum. Cp(liq) = 0.5437 + 0.001858t + 0.0000098t2 cal/g*K. Cp(298.15 K) = 114.9 J/mol*K, calculated from equation.; DH |
26.70 | 298. | Bykov, 1939 | DH |
24.69 | 298. | Ernst, Watkins, et al., 1936 | DH |
28.375 | 313.15 | Fiock, Ginnings, et al., 1931 | T = 40 to 110°C.; DH |
26.260 | 294.31 | Kelley, 1929 | T = 16 to 298 K. Value is unsmoothed experimental datum.; DH |
25.41 | 270. | Mitsukuri and Hara, 1929 | T = 190 to 270 K.; DH |
38.41 | 298.1 | Parks, Kelley, et al., 1929 | Extrapolation below 90 K, 38.9 J/mol*K. Revision of previous data.; DH |
27.10 | 298.0 | Parks, 1925 | T = 87 to 298 K. Value is unsmoothed experimental datum.; DH |
27.51 | 303. | Willams and Daniels, 1924 | T = 303 to 333 K. Equation only.; DH |
24.47 | 271.4 | Gibson, Parks, et al., 1920 | T = 85 to 271.4 K. Unsmoothed experimental datum. Data also given for the glassy state from 85.9 to 96.3 K.; DH |
26.79 | 298. | von Reis, 1881 | T = 288 to 346 K.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
MS - José A. Martinho Simões
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
By formula: C2H7O+ + C2H6O = (C2H7O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.0 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrH° | 32.2 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.5 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrS° | 28.5 | cal/mol*K | N/A | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
ΔrG° | 23.7 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M |
By formula: C2H5O- + C2H6O = (C2H5O- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.6 ± 1.0 | kcal/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B,M |
ΔrH° | 28.1 ± 2.5 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.8 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
ΔrS° | 29.3 | cal/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH; Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.6 ± 1.6 | kcal/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 19.0 ± 1.6 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
ΔrG° | 20.1 | kcal/mol | ICR | McIver, Scott, et al., 1973 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M |
C2H5NaO (cr) + 0.5( • 1100
) (solution) =
(solution) + 0.5
(solution)
By formula: C2H5NaO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5Na2O4S (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.30 ± 0.91 | kcal/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -117.3 ± 1.4 kcal/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -98.0 ± 1.0 kcal/mol and -98.90 kcal/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS |
By formula: Cl- + C2H6O = (Cl- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.90 ± 0.40 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 17.60 ± 0.50 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B,B,M |
ΔrH° | 17.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.7 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
ΔrS° | 23.1 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.65 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 10.5 ± 2.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 10.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, 1987 | gas phase; B |
ΔrG° | 10.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.0 | 295. | ICR | Riveros, 1974 | gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M |
C2H5O- + =
By formula: C2H5O- + H+ = C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 379.2 ± 1.0 | kcal/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrH° | 378.0 ± 2.0 | kcal/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrH° | 377.4 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 379.10 ± 0.10 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 372.6 ± 1.1 | kcal/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrG° | 371.4 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrG° | 370.8 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: C2H5O+ + C2H6O = (C2H5O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.7 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C3H9O+ + C2H6O = (C3H9O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.0 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C4H9O- + C2H6O = (C4H9O- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.6 ± 2.9 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.9 ± 2.0 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
By formula: C3H7O- + C2H6O = (C3H7O- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.4 ± 2.9 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.3 | cal/mol*K | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.7 ± 2.0 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M |
By formula: C3H9O+ + C2H6O = (C3H9O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.9 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | N/A | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.5 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M |
By formula: F- + C2H6O = (F- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.40 ± 0.70 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 31.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
ΔrH° | 32.5 ± 2.2 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.74 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 24.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
By formula: CN- + C2H6O = (CN- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
ΔrH° | 17.4 ± 3.5 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 24.5 | cal/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 10.0 ± 2.3 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: I- + C2H6O = (I- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.00 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 12.1 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.11 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 6.4 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
ΔrG° | 6.0 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B |
By formula: C3H9Si+ + C2H6O = (C3H9Si+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.0 | kcal/mol | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | N/A | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
27.9 | 468. | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M |
By formula: HS- + C2H6O = (HS- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.30 ± 0.10 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B,M |
ΔrH° | 16.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.60 ± 0.40 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
ΔrG° | 10.3 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: C3H9Sn+ + C2H6O = (C3H9Sn+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.8 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.2 | cal/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.9 | 525. | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
By formula: C5H11O- + C2H6O = (C5H11O- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.3 ± 2.9 | kcal/mol | N/A | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.6 ± 2.0 | kcal/mol | IMRE | Caldwell, Rozeboom, et al., 1984 | gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B |
By formula: (Cl- • 2C2H6O) + C2H6O = (Cl- • 3C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.90 ± 0.70 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 12.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.8 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.16 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 5.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • C2H6O) + C2H6O = (Cl- • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 16.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.34 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 8.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 9C2H6O) + C2H6O = (Cl- • 10C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: (Cl- • 8C2H6O) + C2H6O = (Cl- • 9C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: CH6N+ + C2H6O = (CH6N+ • C2H6O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.3 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Meot-Ner, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.9 | 496. | PHPMS | Meot-Ner, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: Na+ + C2H6O = (Na+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.3 ± 1.3 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 24.4 ± 0.9 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 24.4 ± 0.9 | kcal/mol | CIDT | Rodgers and Armentrout, 1999 | RCD |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.0 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
0.0 | 0. | CIDT | Rodgers and Armentrout, 1999 | RCD |
By formula: (Na+ • C2H6O) + C2H6O = (Na+ • 2C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.7 ± 1.6 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 23.1 ± 1.1 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 23.7 ± 1.6 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 23.3 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
C2H5LiO (cr) + 0.5( • 1100
) (solution) = 0.5Li2O4S (solution) +
(solution)
By formula: C2H5LiO (cr) + 0.5(H2O4S • 1100H2O) (solution) = 0.5Li2O4S (solution) + C2H6O (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.15 ± 0.31 | kcal/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on -17.5±0.3 for the enthalpy of solution of Li2SO4(cr) Blanchard, Joly, et al., 1974.; MS |
C2H5KO (cr) + 0.5( • 1100
) (solution) =
(solution) + 0.5K2O4S (solution)
By formula: C2H5KO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5K2O4S (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -31.62 ± 0.69 | kcal/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 35.1±0.1 for the enthalpy of solution of K2SO4(cr) Blanchard, Joly, et al., 1974.; MS |
+
= C2H6BrO-
By formula: Br- + C2H6O = C2H6BrO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.10 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 8.8 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
By formula: H2 + C2H4O = C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -19.44 ± 0.34 | kcal/mol | Chyd | Wiberg, Crocker, et al., 1991 | liquid phase; solvent: Triglyme; ALS |
ΔrH° | -16.51 ± 0.10 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -16.8 ± 0.1 kcal/mol; At 355 °K; ALS |
By formula: (Cl- • 3C2H6O) + C2H6O = (Cl- • 4C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.5 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 4C2H6O) + C2H6O = (Cl- • 5C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.6 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 5C2H6O) + C2H6O = (Cl- • 6C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.0 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 6C2H6O) + C2H6O = (Cl- • 7C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.9 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 7C2H6O) + C2H6O = (Cl- • 8C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: C2H3O2- + C2H6O = (C2H3O2- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.7 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.2 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.9 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: C4H8 + C2H6O = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.65 | kcal/mol | Cm | Sola, Pericas, et al., 1995 | liquid phase; ALS |
ΔrH° | -7.65 | kcal/mol | Kin | Sola, Pericas, et al., 1995 | liquid phase; ALS |
ΔrH° | -14.9 ± 0.5 | kcal/mol | Eqk | Iborra, Izquierdo, et al., 1989 | gas phase; GC; ALS |
By formula: C2H4NO2- + C2H6O = C4H10NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.57 ± 0.50 | kcal/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.8 ± 1.0 | kcal/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
+ 2
= C4H12IO2-
By formula: I- + 2C2H6O = C4H12IO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.50 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.42 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 2
= C4H12BrO2-
By formula: Br- + 2C2H6O = C4H12BrO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.50 ± 0.60 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.72 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 3
= C6H18IO3-
By formula: I- + 3C2H6O = C6H18IO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.40 ± 0.50 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.51 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 3
= C6H18BrO3-
By formula: Br- + 3C2H6O = C6H18BrO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.50 ± 0.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.37 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
By formula: C2H6FO- + 2C2H6O = C4H12FO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.60 ± 0.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.10 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
By formula: C2H6O + C3H6O2 = C5H10O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.40 ± 0.10 | kcal/mol | Eqk | Essex and Sandholzer, 1938 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -5.627 kcal/mol; ALS |
By formula: C4H12FO2- + 3C2H6O = C6H18FO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.60 ± 0.10 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.12 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+
= C8H11O2-
By formula: C6H5O- + C2H6O = C8H11O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.2 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: C6H5O- + C2H6O = (C6H5O- • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 | kcal/mol | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
4 (l) +
(l) =
(l) + 4(
• 51.3
) (solution)
By formula: 4C2H6O (l) + Cl4Ti (l) = C8H20O4Ti (l) + 4(HCl • 51.3H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -49.1 ± 1.0 | kcal/mol | RSC | Bradley and Hillyer, 1966 | Please also see Pedley and Rylance, 1977.; MS |
+
= C2H5D6FO-
By formula: F- + C2H6O = C2H5D6FO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 23.7 ± 2.0 | kcal/mol | IMRE | Wilkinson, Szulejko, et al., 1992 | gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B |
By formula: Mg+ + C2H6O = (Mg+ • C2H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63. ± 5. | kcal/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M |
3 +
= CNa2O3 +
+
+
By formula: 3HNaO + C3H5ClO2 = CNa2O3 + C2H6O + ClNa + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -77.27 ± 0.41 | kcal/mol | Cm | Davies, Finch, et al., 1980 | liquid phase; Heat of hydrolysis; ALS |
By formula: C9H16N2O2 + H2O = C4H8O2 + C3H4N2 + C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.68 ± 0.16 | kcal/mol | Cm | Guthrie and Pike, 1987 | liquid phase; Heat of hydrolysis; ALS |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
120. | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
200. | X | N/A | ||
190. | 6600. | M | N/A | |
200. | X | N/A | Value given here as quoted by missing citation. | |
230. | M | N/A | ||
150. | 6400. | X | N/A | |
220. | M | N/A | ||
160. | M,X | Timmermans, 1960 | Value given here as quoted by missing citation. | |
190. | M | Butler, Ramchandani, et al., 1935 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Heat capacity of alcohol vapors at atmospheric pressure,
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Molar heats of vapor organic compounds,
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Rotational hindrance in ether and alcohol molecules on the basis of heat capacity determinations,
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Calorimetric study of the glassy state. XII. Plural glass-transition phenomena of ethanol,
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Kelley, 1929
Kelley, K.K.,
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Heat capacities of {xCnH2n+1OH+(1-x)C7H16} for n = 1 to 6 at 298.15 K,
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Flow microcalorimeter for heat capacities of solutions,
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Pedersen, Kay, et al., 1975
Pedersen, M.J.; Kay, W.B.; Hershey, H.C.,
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Paz Andrade, Paz, et al., 1970
Paz Andrade, M.I.; Paz, J.M.; Recacho, E.,
Contribucion a la microcalorimetria de los calores especificos de solidos y liquidos,
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Nikolaev, Rabinovich, et al., 1967
Nikolaev, P.N.; Rabinovich, I.B.; Lebedev, B.V.,
Specific heat of H- and D-ethyl alcohol in the interval 80-250K,
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Hwa and Ziegler, 1966
Hwa, S.C.P.; Ziegler, W.T.,
Temperature dependence of excess thermodynamic properties of ethanol-methylcyclohexane and ethanol-toluene systems,
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Rabinovich and Nikolaev, 1962
Rabinovich, I.B.; Nikolaev, P.N.,
Isotopic effect in the specific heat of some deutero compounds,
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Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A.,
Mean specific heat in homologous series of binary and ternary positive azeotropes,
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Mazur, 1940
Mazur, V.J.,
On the specific heat of ethyl alcohol,
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Bykov, 1939
Bykov, V.T.,
Heat of mixing of liquids,
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Ernst, Watkins, et al., 1936
Ernst, R.C.; Watkins, C.H.; Ruwe, H.H.,
The physical properties of the ternary system ethyl alcohol-glycerin-water,
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Fiock, Ginnings, et al., 1931
Fiock, E.F.; Ginnings, D.C.; Holton, W.B.,
Calorimetric determinations of thermal properties of methyl alcohol, ethyl alcohol, and benzene,
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Mitsukuri and Hara, 1929
Mitsukuri, S.; Hara, K.,
Specific heats of acetone, methyl-, ethyl-, and n-propyl-alcohols at low temperatures,
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Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M.,
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Willams and Daniels, 1924
Willams, J.W.; Daniels, F.,
The specific heats of certain organic liquids at elevated temperatures,
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Gibson, Parks, et al., 1920
Gibson, G.E.; Parks, G.S.; Latimer, W.M.,
Entropy changes at low temperatures. II. Ethyl and propyl alcohols and their equal molal mixture,
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von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
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Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B.,
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Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P.,
Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding,
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Lias, Liebman, et al., 1984
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Bomse, D.S.; Beauchamp, J.L.,
Slow Multiphoton Excitation as a Probe of Bimolecular and Unimolecular Reaction Energetics. Multiphoton Dissociation of Proton-Bound Alcohol Dimers,
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Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W.,
The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions,
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Caldwell, Rozeboom, et al., 1984
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Anion-alcohol hydrogen bond strengths in the gas phase,
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Paul, G.J.C.; Kebarle, P.,
Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase,
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Meot-ner and Sieck, 1986
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Relative acidities of water and methanol, and the stabilities of the dimer adducts,
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Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M.,
Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol,
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McIver, Scott, et al., 1973
McIver, R.T., Jr.; Scott, J.A.; Riveros, J.M.,
Effect of solvation on the intrinsic relative acidity of methanol and ethanol,
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Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M.,
Intermolecular Forces in Organic Clusters,
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Blanchard, Joly, et al., 1974
Blanchard, J.M.; Joly, R.D.; Lettoffe, J.M.; Perachon, G.; Thourey, J.,
J. Chim. Phys. Phys.-Chim. Biol., 1974, 71, 472. [all data]
Tel'noi and Rabinovich, 1980
Tel'noi, V.I.; Rabinovich, I.B.,
Russ. Chem. Rev., 1980, 49, 603. [all data]
Wagman, Evans W.H., et al., 1982
Wagman, D.D.; Evans W.H.; Parker, V.B.; Schumm, R.H.; Halow, I.; Bailey, S.M.; Churney, K.L.; Nuttall, R.L.,
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Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W.,
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Bogdanov, B.; Peschke, M.; Tonner, D.S.; Szulejko, J.E.; McMahon, T.B.,
Stepwise solvation of halides by alcohol molecules in the gas phase,
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Hiraoka, 1987
Hiraoka, K.,
Relation Between Gas Phase Stepwise and Bulk Solvation of Cl- with Water and Aliphatic Alcohols,
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Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
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Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S.,
Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH,
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Larson and McMahon, 1984, 2
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Gas phase negative ion chemistry of alkylchloroformates,
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Riveros, 1974
Riveros, J.M.,
Formation and Relative Stability of Negative Clustered Ions by Ion Cyclotron Resonance Spectroscopy,
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Riveros, Breda, et al., 1973
Riveros, J.M.; Breda, A.C.; Blair, L.K.,
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Ramond, Davico, et al., 2000
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Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
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Bartmess, Scott, et al., 1979
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The gas phase acidity scale from methanol to phenol,
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DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M.,
Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols,
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Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
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Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
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Meot-ner, 1988
Meot-ner, M.,
Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-,
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Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids,
J. Am. Chem. Soc., 1987, 109, 6230. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
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Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P.,
Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements,
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Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M.,
Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR,
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Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J.,
A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases,
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Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M.,
Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities.,
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Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E.,
A high-pressure mass spectrometric study of the binding of (CH3)3Sn+ to lewis bases in the gas phase,
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Meot-Ner, 1984
Meot-Ner, (Mautner)M.,
The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects,
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Amicangelo and Armentrout, 2001
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Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments,
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Armentrout, P.B.; Rodgers, M.T.,
An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory,
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An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
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Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y.,
Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN,
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions T Temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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