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Acetic acid

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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), Vibrational and/or electronic energy levels, 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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-433. ± 3.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
gas282.84J/mol*KN/AWeltner W., 1955Other third-law entropy values at 298.15 K are 284.5 [ Chao J., 1986] and 290.37(4.18) J/mol*K [ Halford J.O., 1941].; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
39.5450.Chao J., 1986p=1 bar. Selected entropies and heat capacities differ from other statistically calculated values [ Weltner W., 1955] by 1.0-1.3 J/mol*K for S(T) and 3.1-5.4 J/mol*K for Cp(T). Please also see Chao J., 1978.; GT
40.42100.
42.74150.
48.34200.
59.38273.15
63.44 ± 0.11298.15
63.74300.
79.66400.
93.93500.
106.18600.
116.63700.
125.50800.
132.99900.
139.261000.
144.461100.
148.761200.
152.301300.
155.221400.
157.631500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-483.52 ± 0.36kJ/molCcbSteele, Chirico, et al., 1997ALS
Deltafliquid-484.5 ± 0.2kJ/molCcbLebedeva, 1964ALS
Deltafliquid-484.1 ± 0.4kJ/molCcbEvans and Skinner, 1959ALS
Deltafliquid-487.0kJ/molCmCarson and Skinner, 1949Unpublished result by Rossini; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-875.16 ± 0.34kJ/molCcbSteele, Chirico, et al., 1997Corresponding «DELTA»fliquid = -483.52 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-874.2 ± 0.2kJ/molCcbLebedeva, 1964Corresponding «DELTA»fliquid = -484.47 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-874.5 ± 0.4kJ/molCcbEvans and Skinner, 1959Corresponding «DELTA»fliquid = -484.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-872.4kJ/molCcbSchjanberg, 1935Corresponding «DELTA»fliquid = -486.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid158.0J/mol*KN/AMartin and Andon, 1982DH
liquid193.7J/mol*KN/AParks and Kelley, 1925Extrapolation below 90 K. 76.82 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
123.1298.15Martin and Andon, 1982T = 13 to 450 K. Data also given by equation.; DH
139.7332.Swietoslawski and Zielenkiewicz, 1958Mean value 22 to 96°C.; DH
120.5298.Radulescu and Jula, 1934DH
121.3297.1Neumann, 1932T = 23.9 to 80.5°C. Value is unsmoothed experimental datum.; DH
159.8298.1Parks, Kelley, et al., 1929Extrapolation below 90 K, 42.68 J/mol*K. Revision of previous data.; DH
123.4294.7Parks and Kelley, 1925T = 87 to 295 K. Value is unsmoothed experimental datum.; DH
137.287. - 335.Pickering, 1895T = 260 to 335 K.; DH
123.5298.von Reis, 1881T = 292 to 358 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), Vibrational and/or electronic energy levels, 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil391.2 ± 0.6KAVGN/AAverage of 81 out of 91 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus289.6 ± 0.5KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple289.8KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple289.69KN/AMartin and Andon, 1982, 2Uncertainty assigned by TRC = 0.04 K; TRC
Ttriple289.8KN/AParks and Kelley, 1925, 2Uncertainty assigned by TRC = 0.15 K; TRC
Quantity Value Units Method Reference Comment
Tc593. ± 3.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Pc57.81barN/AAndereya and Chase, 1990Uncertainty assigned by TRC = 0.20 bar; TRC
Pc58.2901barN/AD'Souza and Teja, 1987Uncertainty assigned by TRC = 0.90 bar; Ambrose's procedure; TRC
Pc57.86barN/AAmbrose, Ellender, et al., 1977Uncertainty assigned by TRC = 0.08 bar; TRC
Pc57.87barN/AYoung, 1910Uncertainty assigned by TRC = 1.0132 bar; TRC
Pc57.867barN/AYoung, 1891Uncertainty assigned by TRC = 0.2666 bar; TRC
Quantity Value Units Method Reference Comment
rhoc5.84mol/lN/AVandana and Teja, 1995Uncertainty assigned by TRC = 0.02 mol/l; TRC
rhoc5.838mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap50.3kJ/molCGCVerevkin, 2000Based on data from 303. - 378. K.; AC
Deltavap51.6kJ/molN/AMajer and Svoboda, 1985 
Deltavap51.6 ± 1.5kJ/molCKonicek and Wadso, 1970ALS
Deltavap51.6 ± 1.6kJ/molCKonicek, Wadsö, et al., 1970AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
23.7391.1N/AMajer and Svoboda, 1985 
39.1360.EBMuñoz and Krähenbühl, 2001Based on data from 345. - 383. K.; AC
40.9335.N/AVercher, Vázquez, et al., 2001Based on data from 320. - 395. K.; AC
37.9406.AStephenson and Malanowski, 1987Based on data from 391. - 550. K.; AC
42.0305.AStephenson and Malanowski, 1987Based on data from 290. - 396. K.; AC
38.7406.AStephenson and Malanowski, 1987Based on data from 391. - 447. K.; AC
38.1452.AStephenson and Malanowski, 1987Based on data from 437. - 535. K.; AC
38.8540.AStephenson and Malanowski, 1987Based on data from 525. - 593. K.; AC
41.6304.AStephenson and Malanowski, 1987Based on data from 289. - 392. K. See also Dykyj, 1970.; AC
43.0308.N/ATamir, Dragoescu, et al., 1983AC
40.3340.N/AMcDonald, Shrader, et al., 1959Based on data from 325. - 391. K.; AC
41.6318.MMPotter and Ritter, 1954Based on data from 303. - 399. K.; AC

Enthalpy of vaporization

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

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Temperature (K) 298. - 392.
A (kJ/mol) 22.84
alpha 0.0184
beta -0.0454
Tc (K) 592.7
ReferenceMajer and Svoboda, 1985

Antoine Equation Parameters

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

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Temperature (K) A B C Reference
290.26 - 391.014.682061642.54-39.764McDonald, Shrader, et al., 1959

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
67. ± 1.223.TE,MECalis-Van Ginkel, Calis, et al., 1978Based on data from 213. - 230. K.; AC
70. ± 1.213.TE,MECalis-Van Ginkel, Calis, et al., 1978Based on data from 213. - 230. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
11.72298.7Domalski and Hearing, 1996See also Martin and Andon, 1982.; AC
11.728289.9Parks and Kelley, 1925DH
10.83289.8Louguinine and Dupont, 1911AC
11.52283.7Meyer, 1910AC
11.126290.06Pickering, 1895DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
40.47289.9Parks and Kelley, 1925DH
38.36290.06Pickering, 1895DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
11.720298.69crystaline, IliquidMartin and Andon, 1982DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
40.5298.69crystaline, IliquidMartin and Andon, 1982DH

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), Vibrational and/or electronic energy levels, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

Fluorine anion + Acetic acid = (Fluorine anion bullet Acetic acid)

By formula: F- + C2H4O2 = (F- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar185. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Deltar107.J/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
Deltar153. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

C2H5O+ + Acetic acid = (C2H5O+ bullet Acetic acid)

By formula: C2H5O+ + C2H4O2 = (C2H5O+ bullet C2H4O2)

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

Quantity Value Units Method Reference Comment
Deltar118.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar123.kJ/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
Deltar118.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Deltar117.J/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
Deltar88.7kJ/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

Chlorine anion + Acetic acid = (Chlorine anion bullet Acetic acid)

By formula: Cl- + C2H4O2 = (Cl- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar102.1 ± 0.84kJ/molTDAsSieck, 1985gas phase; B,M
Deltar90.4 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B,M
Deltar100. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar82.0J/mol*KPHPMSSieck, 1985gas phase; M
Deltar100.J/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Deltar80.8J/mol*KPHPMSYamdagni and Kebarle, 1971gas phase; M
Quantity Value Units Method Reference Comment
Deltar77.8 ± 1.3kJ/molTDAsSieck, 1985gas phase; B
Deltar66.1 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B
Deltar69.9 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

MeCO2 anion + Hydrogen cation = Acetic acid

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Deltar1457. ± 5.9kJ/molCIDCAngel and Ervin, 2006gas phase; B
Deltar1456. ± 9.2kJ/molG+TSTaft and Topsom, 1987gas phase; B
Deltar1459. ± 8.8kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Deltar1459. ± 9.2kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Deltar1435.9 ± 2.9kJ/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar1427. ± 8.4kJ/molIMRETaft and Topsom, 1987gas phase; B
Deltar1429. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B
Deltar1430. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

C2H7O+ + Acetic acid = (C2H7O+ bullet Acetic acid)

By formula: C2H7O+ + C2H4O2 = (C2H7O+ bullet C2H4O2)

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

Quantity Value Units Method Reference Comment
Deltar123.kJ/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
Deltar119.J/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
Deltar87.0kJ/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

CH6N+ + Acetic acid = (CH6N+ bullet Acetic acid)

By formula: CH6N+ + C2H4O2 = (CH6N+ bullet C2H4O2)

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

Quantity Value Units Method Reference Comment
Deltar92.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Deltar89.5kJ/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSMeot-Ner, 1984gas phase; M
Deltar100.J/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
43.1459.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

(C2H5O+ bullet 3Acetic acid) + Acetic acid = (C2H5O+ bullet 4Acetic acid)

By formula: (C2H5O+ bullet 3C2H4O2) + C2H4O2 = (C2H5O+ bullet 4C2H4O2)

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

Quantity Value Units Method Reference Comment
Deltar50.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
26.245.PHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

(MeCO2 anion bullet 2Acetic acid bullet Water) + Acetic acid = (MeCO2 anion bullet 3Acetic acid bullet Water)

By formula: (C2H3O2- bullet 2C2H4O2 bullet H2O) + C2H4O2 = (C2H3O2- bullet 3C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar52.3 ± 2.5kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar67.8 ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.0kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar26. ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(MeCO2 anion bullet Acetic acid bullet Water) + Acetic acid = (MeCO2 anion bullet 2Acetic acid bullet Water)

By formula: (C2H3O2- bullet C2H4O2 bullet H2O) + C2H4O2 = (C2H3O2- bullet 2C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar82.4 ± 2.1kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Deltar67.8 ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar45.23kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Deltar26. ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B

Acetyl chloride + Water = Acetic acid + Hydrogen chloride

By formula: C2H3ClO + H2O = C2H4O2 + HCl

Quantity Value Units Method Reference Comment
Deltar-94.47kJ/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Deltar-92.30kJ/molCmPritchard and Skinner, 1950liquid phase; Heat of hydrolysis at 298 K, see Carson and Skinner, 1949; ALS
Deltar-92.42kJ/molCmCarson and Skinner, 1949liquid phase; ALS

Acetic anhydride + Water = 2Acetic acid

By formula: C4H6O3 + H2O = 2C2H4O2

Quantity Value Units Method Reference Comment
Deltar-56.6 ± 4.0kJ/molCmBecker and Maelicke, 1967liquid phase; ALS
Deltar-58.6 ± 0.4kJ/molCmWadso, 1962liquid phase; ALS
Deltar-58.4 ± 0.4kJ/molCmConn, Kistiakowsky, et al., 1942liquid phase; Heat of hydrolysis at 303 K; ALS

Iodide + Acetic acid = (Iodide bullet Acetic acid)

By formula: I- + C2H4O2 = (I- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar70.7 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar89.1J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar43.9 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B

C2H3O2- + Hydrogen cation = Acetic acid

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Deltar1540. ± 13.kJ/molG+TSGrabowski and Cheng, 1989gas phase; B
Deltar1539. ± 19.kJ/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar1511. ± 13.kJ/molIMRBGrabowski and Cheng, 1989gas phase; B

C6H5NO2- + Acetic acid = (C6H5NO2- bullet Acetic acid)

By formula: C6H5NO2- + C2H4O2 = (C6H5NO2- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar94.56 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar112.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar61.09 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

phenoxide anion + Acetic acid = (phenoxide anion bullet Acetic acid)

By formula: C6H5O- + C2H4O2 = (C6H5O- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar115.kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; calculated from CH3COO-.C6H5OH; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; calculated from CH3COO-.C6H5OH; M

(C2H5O+ bullet 2Acetic acid) + Acetic acid = (C2H5O+ bullet 3Acetic acid)

By formula: (C2H5O+ bullet 2C2H4O2) + C2H4O2 = (C2H5O+ bullet 3C2H4O2)

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

Quantity Value Units Method Reference Comment
Deltar54.8kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar93.7J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

(C2H5O+ bullet Acetic acid) + Acetic acid = (C2H5O+ bullet 2Acetic acid)

By formula: (C2H5O+ bullet C2H4O2) + C2H4O2 = (C2H5O+ bullet 2C2H4O2)

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

Quantity Value Units Method Reference Comment
Deltar77.4kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

C6H12NO3+ + Acetic acid = (C6H12NO3+ bullet Acetic acid)

By formula: C6H12NO3+ + C2H4O2 = (C6H12NO3+ bullet C2H4O2)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar75.7kJ/molPHPMSMeot-Ner, 1984, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar114.J/mol*KPHPMSMeot-Ner, 1984, 2gas phase; M

Diacetamide + Water = Acetamide + Acetic acid

By formula: C4H7NO2 + H2O = C2H5NO + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-18.1 ± 0.2kJ/molCmHill and Wadso, 1968solid phase; Heat of hydrolysis; ALS
Deltar-18.1 ± 0.2kJ/molCmWadso, 1965solid phase; Heat of hydrolysis; ALS

C4H10NO+ + Acetic acid = (C4H10NO+ bullet Acetic acid)

By formula: C4H10NO+ + C2H4O2 = (C4H10NO+ bullet C2H4O2)

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

Quantity Value Units Method Reference Comment
Deltar77.0kJ/molPHPMSMeot-Ner, 1984, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KPHPMSMeot-Ner, 1984, 2gas phase; M

Acetyl iodide + Water = Hydrogen iodide + Acetic acid

By formula: C2H3IO + H2O = HI + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-93.97kJ/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Deltar-90.33kJ/molCmCarson and Skinner, 1949liquid phase; Heat of hydrolysis; ALS

(MeCO2 anion bullet Water) + Acetic acid = (MeCO2 anion bullet Acetic acid bullet Water)

By formula: (C2H3O2- bullet H2O) + C2H4O2 = (C2H3O2- bullet C2H4O2 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar123. ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar85.4 ± 6.7kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B

Acetic anhydride + 1-Butanamine = Acetamide, N-butyl- + Acetic acid

By formula: C4H6O3 + C4H11N = C6H13NO + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-113.2 ± 0.46kJ/molCmWadso, 1962liquid phase; ALS
Deltar-163.7 ± 0.3kJ/molCmWadso, 1958liquid phase; Heat of aminolysis; ALS

Acetyl bromide + Water = Hydrogen bromide + Acetic acid

By formula: C2H3BrO + H2O = HBr + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-97.53kJ/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Deltar-96.48kJ/molCmCarson and Skinner, 1949liquid phase; ALS

thiophenoxide anion + Acetic acid = C8H9O2S-

By formula: C6H5S- + C2H4O2 = C8H9O2S-

Quantity Value Units Method Reference Comment
Deltar84.94 ± 0.42kJ/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar52.3 ± 1.7kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

(MeCO2 anion bullet 2Acetic acid) + Acetic acid = (MeCO2 anion bullet 3Acetic acid)

By formula: (C2H3O2- bullet 2C2H4O2) + C2H4O2 = (C2H3O2- bullet 3C2H4O2)

Quantity Value Units Method Reference Comment
Deltar67.8kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar139.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

(MeCO2 anion bullet Acetic acid) + Acetic acid = (MeCO2 anion bullet 2Acetic acid)

By formula: (C2H3O2- bullet C2H4O2) + C2H4O2 = (C2H3O2- bullet 2C2H4O2)

Quantity Value Units Method Reference Comment
Deltar82.0kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

thiophenoxide anion + Acetic acid = (thiophenoxide anion bullet Acetic acid)

By formula: C6H5S- + C2H4O2 = (C6H5S- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar84.9kJ/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

Lithium ion (1+) + Acetic acid = (Lithium ion (1+) bullet Acetic acid)

By formula: Li+ + C2H4O2 = (Li+ bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar174.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

MeCO2 anion + Acetic acid = (MeCO2 anion bullet Acetic acid)

By formula: C2H3O2- + C2H4O2 = (C2H3O2- bullet C2H4O2)

Quantity Value Units Method Reference Comment
Deltar123.kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar124.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

2,3-Butanediol, diacetate + 2Water = 2,3-Butanediol + 2Acetic acid

By formula: C8H14O4 + 2H2O = C4H10O2 + 2C2H4O2

Quantity Value Units Method Reference Comment
Deltar-22.3 ± 2.1kJ/molCmShlechter, Othmer, et al., 1945liquid phase; Heat of formation derived by Cox and Pilcher, 1970; ALS

1H-Imidazole, 1-acetyl- + Water = 1H-Imidazole + Acetic acid

By formula: C5H6N2O + H2O = C3H4N2 + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-20.2 ± 0.2kJ/molCmWadso, 1960liquid phase; solvent: Aqueous; Heat of hydrolysis; ALS

2,3-Butanediol + 2Acetic acid = 2,3-Butanediol, diacetate + 2Water

By formula: C4H10O2 + 2C2H4O2 = C8H14O4 + 2H2O

Quantity Value Units Method Reference Comment
Deltar22.30kJ/molEqkShlechter, Othmer, et al., 1945liquid phase; Heat of esterification at 338-453 K; ALS

2,3-Butanediol monoacetate + Acetic acid = 2,3-Butanediol, diacetate + Water

By formula: C6H12O3 + C2H4O2 = C8H14O4 + H2O

Quantity Value Units Method Reference Comment
Deltar1.85kJ/molEqkShlechter, Othmer, et al., 1945liquid phase; Heat of esterification at 338-453 K; ALS

N,N,N-Triacetylamine + 2Water = Acetamide + 2Acetic acid

By formula: C6H9NO3 + 2H2O = C2H5NO + 2C2H4O2

Quantity Value Units Method Reference Comment
Deltar-103.5 ± 0.08kJ/molCmHill and Wadso, 1968liquid phase; Heat of hydrolysis; ALS

2Water + Ethene, 1,1-dimethoxy- = Acetic acid + 2Methyl Alcohol

By formula: 2H2O + C4H8O2 = C2H4O2 + 2CH4O

Quantity Value Units Method Reference Comment
Deltar-74.4 ± 3.6kJ/molCmGuthrie and Liu, 1995liquid phase; Heat of hydrolysis; ALS

1,3-Dehydroadamantane + Acetic acid = Tricyclo[3.3.1.13,7]decan-1-ol, acetate

By formula: C10H14 + C2H4O2 = C12H18O2

Quantity Value Units Method Reference Comment
Deltar-182.0 ± 0.3kJ/molCacWiberg, Connon, et al., 1979liquid phase; solvent: Acetic acid; ALS

Thioacetic acid + Water = Acetic acid + Hydrogen sulfide

By formula: C2H4OS + H2O = C2H4O2 + H2S

Quantity Value Units Method Reference Comment
Deltar-2.7 ± 0.3kJ/molCmSunner and Wadso, 1957liquid phase; Heat of hydrolysis; ALS

Acetamide + Water = Acetic acid + Ammonia

By formula: C2H5NO + H2O = C2H4O2 + H3N

Quantity Value Units Method Reference Comment
Deltar76.1 ± 1.4kJ/molCmHill and Wadso, 1968solid phase; Heat of hydrolysis; ALS

Acetamide, N-butyl- + Acetic acid = Acetamide, N-acetyl-N-butyl- + Water

By formula: C6H13NO + C2H4O2 = C8H15NO2 + H2O

Quantity Value Units Method Reference Comment
Deltar40.5 ± 0.50kJ/molCmWadso, 1965liquid phase; Heat of hydrolysis; ALS

Ethanethioic acid, S-propyl ester + Water = Propyl mercaptan + Acetic acid

By formula: C5H10OS + H2O = C3H8S + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-3.9 ± 0.3kJ/molCmWadso, 1957liquid phase; Heat of hydrolysis; ALS

Acetamide, N-phenyl- + Acetic acid = C10H11NO2 + Water

By formula: C8H9NO + C2H4O2 = C10H11NO2 + H2O

Quantity Value Units Method Reference Comment
Deltar45.5 ± 0.3kJ/molCmWadso, 1965solid phase; Heat of hydrolysis; ALS

m-Cresyl acetate + Water = Phenol, 3-methyl- + Acetic acid

By formula: C9H10O2 + H2O = C7H8O + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-18.4 ± 0.59kJ/molCmSunner, 1957liquid phase; Heat of hydrolysis; ALS

Water + Ethanethioic acid, S-butyl ester = 1-Butanethiol + Acetic acid

By formula: H2O + C6H12OS = C4H10S + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-4.6 ± 0.3kJ/molCmWadso, 1957liquid phase; Heat of hydrolysis; ALS

1-Acetyl-1H-tetrazole + Water = 1H-Tetrazole + Acetic acid

By formula: C3H4N4O + H2O = CH2N4 + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-43.1 ± 0.4kJ/molCmWadso, 1960solid phase; Heat of hydrolysis; ALS

Benzoic acid, 4-(acetylthio)- + Water = Benzoic acid, 4-mercapto- + Acetic acid

By formula: C9H8O3S + H2O = C7H6O2S + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-11.5 ± 0.4kJ/molCmNelander, 1964solid phase; Heat of hydrolysis; ALS

Acetamide, N-phenyl- + Water = Aniline + Acetic acid

By formula: C8H9NO + H2O = C6H7N + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-42.0 ± 0.3kJ/molCmWadso, 1965solid phase; Heat of hydrolysis; ALS

Acetic acid + Acetone = 1-Propen-2-ol, acetate + Water

By formula: C2H4O2 + C3H6O = C5H8O2 + H2O

Quantity Value Units Method Reference Comment
Deltar60.2 ± 0.3kJ/molCmSunner, 1957liquid phase; Heat of hydrolysis; ALS

S-Ethyl ethanethioate + Water = Acetic acid + Ethanethiol

By formula: C4H8OS + H2O = C2H4O2 + C2H6S

Quantity Value Units Method Reference Comment
Deltar-4.0 ± 0.3kJ/molCmWadso, 1957liquid phase; Heat of hydrolysis; ALS

Water + Ethanethioic acid, S-(1-methylethyl) ester = Acetic acid + 2-Propanethiol

By formula: H2O + C5H10OS = C2H4O2 + C3H8S

Quantity Value Units Method Reference Comment
Deltar-5.8 ± 0.3kJ/molCmWadso, 1957liquid 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), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, 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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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 80
NIST MS number 227635

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, 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 by: Takehiko Shimanouchi

Symmetry:   Cs     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a' 1 OH str 3583  B 3583 M gas
a' 2 CH3 d-str 3051  B 3051 VW gas
a' 3 CH3 s-str 2944  B 2944 VW gas
a' 4 C=O str 1788  B 1788 VS gas
a' 5 CH3 d-deform 1430  C 1430 sh gas SF(«nu»14)
a' 6 CH3 s-deform 1382  B 1382 M gas
a' 7 OH bend 1264  B 1264 M gas
a' 8 C-O str 1182  B 1182 S gas
a' 9 CH3 rock 989  B 989 M gas
a' 10 CC str 847  B 847 W gas
a' 11 OCO deform 657  B 657 S gas
a' 12 CCO deform 581  B 581 M gas
a 13 CH3 d-str 2996  B 2996 VW gas
a 14 CH3 d-deform 1430  C 1430 sh gas SF(«nu»5)
a 15 CH3 rock 1048  B 1048 W gas
a 16 C=O op-bend 642  B 642 S gas
a 17 C-O torsion 534  B 534 M gas
a 18 CH3 torsion 93  E CF

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
shShoulder
CFCalculated frequency
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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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