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
Δfgas-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
Δfliquid-483.52 ± 0.36kJ/molCcbSteele, Chirico, et al., 1997ALS
Δfliquid-484.5 ± 0.2kJ/molCcbLebedeva, 1964ALS
Δfliquid-484.1 ± 0.4kJ/molCcbEvans and Skinner, 1959ALS
Δfliquid-487.0kJ/molCmCarson and Skinner, 1949Unpublished result by Rossini; ALS
Quantity Value Units Method Reference Comment
Δcliquid-875.16 ± 0.34kJ/molCcbSteele, Chirico, et al., 1997Corresponding Δfliquid = -483.52 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-874.2 ± 0.2kJ/molCcbLebedeva, 1964Corresponding Δfliquid = -484.47 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-874.5 ± 0.4kJ/molCcbEvans and Skinner, 1959Corresponding Δfliquid = -484.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-872.4kJ/molCcbSchjanberg, 1935Corresponding Δfliquid = -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. to 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 80 out of 90 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus289.6 ± 0.5KAVGN/AAverage of 8 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
ρc5.84mol/lN/AVandana and Teja, 1995Uncertainty assigned by TRC = 0.02 mol/l; TRC
ρc5.838mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap50.3kJ/molCGCVerevkin, 2000Based on data from 303. to 378. K.; AC
Δvap51.6kJ/molN/AMajer and Svoboda, 1985 
Δvap51.6 ± 1.5kJ/molCKonicek and Wadso, 1970ALS
Δvap51.6 ± 1.6kJ/molCKonicek, Wadsö, et al., 1970AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
23.7391.1N/AMajer and Svoboda, 1985 
39.1360.EBMuñoz and Krähenbühl, 2001Based on data from 345. to 383. K.; AC
40.9335.N/AVercher, Vázquez, et al., 2001Based on data from 320. to 395. K.; AC
37.9406.AStephenson and Malanowski, 1987Based on data from 391. to 550. K.; AC
42.0305.AStephenson and Malanowski, 1987Based on data from 290. to 396. K.; AC
38.7406.AStephenson and Malanowski, 1987Based on data from 391. to 447. K.; AC
38.1452.AStephenson and Malanowski, 1987Based on data from 437. to 535. K.; AC
38.8540.AStephenson and Malanowski, 1987Based on data from 525. to 593. K.; AC
41.6304.AStephenson and Malanowski, 1987Based on data from 289. to 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. to 391. K.; AC
41.6318.MMPotter and Ritter, 1954Based on data from 303. to 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. to 392.
A (kJ/mol) 22.84
α 0.0184
β -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 to 391.014.682061642.54-39.764McDonald, Shrader, et al., 1959

Enthalpy of sublimation

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

Enthalpy of fusion

ΔfusH (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

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

Enthalpy of phase transition

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

Entropy of phase transition

ΔStrs (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 • Acetic acid)

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

Quantity Value Units Method Reference Comment
Δr185. ± 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
Δr107.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
Δr153. ± 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+ • Acetic acid)

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

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

Quantity Value Units Method Reference Comment
Δr118.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr123.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
Δr118.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M
Δr117.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
Δr88.7kJ/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 • Acetic acid)

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

Quantity Value Units Method Reference Comment
Δr102.1 ± 0.84kJ/molTDAsSieck, 1985gas phase; B,M
Δr90.4 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B,M
Δr100. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr82.0J/mol*KPHPMSSieck, 1985gas phase; M
Δr100.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
Δr80.8J/mol*KPHPMSYamdagni and Kebarle, 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr77.8 ± 1.3kJ/molTDAsSieck, 1985gas phase; B
Δr66.1 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B
Δr69.9 ± 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
Δr1457. ± 5.9kJ/molCIDCAngel and Ervin, 2006gas phase; B
Δr1456. ± 9.2kJ/molG+TSTaft and Topsom, 1987gas phase; B
Δr1459. ± 8.8kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Δr1459. ± 9.2kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr1435.9 ± 2.9kJ/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr1427. ± 8.4kJ/molIMRETaft and Topsom, 1987gas phase; B
Δr1429. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B
Δr1430. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

C2H7O+ + Acetic acid = (C2H7O+ • Acetic acid)

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

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

Quantity Value Units Method Reference Comment
Δr123.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
Δr119.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
Δr87.0kJ/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+ • Acetic acid)

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

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

Quantity Value Units Method Reference Comment
Δr92.0kJ/molPHPMSMeot-Ner, 1984gas phase; M
Δr89.5kJ/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr102.J/mol*KPHPMSMeot-Ner, 1984gas phase; M
Δr100.J/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

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

Quantity Value Units Method Reference Comment
Δr50.kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AMeot-Ner (Mautner), 1992gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
Δr52.3 ± 2.5kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr67.8 ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr24.0kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr26. ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr82.4 ± 2.1kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr67.8 ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr45.23kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr26. ± 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
Δr-94.47kJ/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Δr-92.30kJ/molCmPritchard and Skinner, 1950liquid phase; Heat of hydrolysis at 298 K, see Carson and Skinner, 1949; ALS
Δr-92.42kJ/molCmCarson and Skinner, 1949liquid phase; ALS

Acetic anhydride + Water = 2Acetic acid

By formula: C4H6O3 + H2O = 2C2H4O2

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

Iodide + Acetic acid = (Iodide • Acetic acid)

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

Quantity Value Units Method Reference Comment
Δr70.7 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr89.1J/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr43.9 ± 4.2kJ/molTDAsCaldwell and Kebarle, 1984gas phase; B

C2H3O2- + Hydrogen cation = Acetic acid

By formula: C2H3O2- + H+ = C2H4O2

Quantity Value Units Method Reference Comment
Δr1540. ± 13.kJ/molG+TSGrabowski and Cheng, 1989gas phase; B
Δr1539. ± 19.kJ/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr1511. ± 13.kJ/molIMRBGrabowski and Cheng, 1989gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr94.56 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr112.J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr61.09 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr115.kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; calculated from CH3COO-.C6H5OH; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; calculated from CH3COO-.C6H5OH; M

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

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

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

Quantity Value Units Method Reference Comment
Δr54.8kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr93.7J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr77.4kJ/molPHPMSMeot-Ner (Mautner), 1992gas phase; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSMeot-Ner (Mautner), 1992gas phase; M

C6H12NO3+ + Acetic acid = (C6H12NO3+ • Acetic acid)

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

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Δr75.7kJ/molPHPMSMeot-Ner, 1984, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr114.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
Δr-18.1 ± 0.2kJ/molCmHill and Wadso, 1968solid phase; Heat of hydrolysis; ALS
Δr-18.1 ± 0.2kJ/molCmWadso, 1965solid phase; Heat of hydrolysis; ALS

C4H10NO+ + Acetic acid = (C4H10NO+ • Acetic acid)

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

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

Quantity Value Units Method Reference Comment
Δr77.0kJ/molPHPMSMeot-Ner, 1984, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr103.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
Δr-93.97kJ/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Δr-90.33kJ/molCmCarson and Skinner, 1949liquid phase; Heat of hydrolysis; ALS

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

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

Quantity Value Units Method Reference Comment
Δr123. ± 4.2kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr85.4 ± 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
Δr-113.2 ± 0.46kJ/molCmWadso, 1962liquid phase; ALS
Δr-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
Δr-97.53kJ/molCmDevore and O'Neal, 1969liquid phase; Heat of hydrolysis; ALS
Δr-96.48kJ/molCmCarson and Skinner, 1949liquid phase; ALS

thiophenoxide anion + Acetic acid = C8H9O2S-

By formula: C6H5S- + C2H4O2 = C8H9O2S-

Quantity Value Units Method Reference Comment
Δr84.94 ± 0.42kJ/molTDAsSieck and Meot-ner, 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr52.3 ± 1.7kJ/molTDAsSieck and Meot-ner, 1989gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr67.8kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr139.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr82.0kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr84.9kJ/molPHPMSSieck and Meot-ner, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr174.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

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

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

Quantity Value Units Method Reference Comment
Δr123.kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr124.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
Δr-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
Δr-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
Δr22.30kJ/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
Δr1.85kJ/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
Δr-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
Δr-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
Δr-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
Δr-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
Δr76.1 ± 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
Δr40.5 ± 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
Δr-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
Δr45.5 ± 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
Δr-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
Δr-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
Δr-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
Δr-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
Δr-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
Δr60.2 ± 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
Δr-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
Δr-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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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin 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 σ = 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 SF14)
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 SF5)
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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