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Propanedioic acid

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid-891.1 ± 0.4kJ/molCcbWilhoit and Shiao, 1964ALS
Quantity Value Units Method Reference Comment
Deltacsolid-861.15 ± 0.63kJ/molCcbWilhoit and Shiao, 1964Corresponding «DELTA»fsolid = -891.02 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-861.57 ± 0.63kJ/molCcbVerkade, Hartman, et al., 1926Reanalyzed by Cox and Pilcher, 1970, Original value = -864.0 kJ/mol; See Verkade, Hartman, et al., 1924; Corresponding «DELTA»fsolid = -890.61 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar149.00J/mol*KN/AFukai, Matsuo, et al., 1991crystaline, II phase; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
127.63298.15Fukai, Matsuo, et al., 1991crystaline, II phase; T = 10 to 370 K.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
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
Tfus408.05KN/AWilhoit and Shiao, 1964, 2Uncertainty assigned by TRC = 0.3 K; TRC
Tfus407.9KN/AWilhoit and Shiao, 1964, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltasub111.4 ± 0.7kJ/molN/ARibeiro da Silva, Monte, et al., 1999AC
Deltasub105.1 ± 0.8kJ/molCAl-Takhin, Pilcher, et al., 1983ALS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
108.9 ± 0.7348.MERibeiro da Silva, Monte, et al., 1999Based on data from 339. - 357. K.; AC
72.7306.AStephenson and Malanowski, 1987Based on data from 291. - 320. K. See also Granovskaya, 1947.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
23.1407.5Hansen and Beyer, 2004AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.0148047.3crystaline, IIIcrystaline, IIFukai, Matsuo, et al., 1991DH
1.837352.2crystaline, IIcrystaline, IFukai, Matsuo, et al., 1991DH
1.600351.2crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.31347.3crystaline, IIIcrystaline, IIFukai, Matsuo, et al., 1991DH
5.217352.2crystaline, IIcrystaline, IFukai, Matsuo, et al., 1991DH
4.6351.2crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH

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, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
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.

Individual Reactions

C3H3O4- + Hydrogen cation = Propanedioic acid

By formula: C3H3O4- + H+ = C3H4O4

Quantity Value Units Method Reference Comment
Deltar1341. ± 8.4kJ/molCIDCKumar, Prabhakar, et al., 2005gas phase; B
Quantity Value Units Method Reference Comment
Deltar1318. ± 8.4kJ/molCIDCKumar, Prabhakar, et al., 2005gas phase; B

Propanedioic acid + Bromine = Hydrogen bromide + Propanedioic acid, 2-bromo-

By formula: C3H4O4 + Br2 = HBr + C3H3BrO4

Quantity Value Units Method Reference Comment
Deltar-66.0 ± 2.9kJ/molCmKoros, Orban, et al., 1979liquid phase; solvent: Sulfuric acid (1M); Bromination; ALS

IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby


Mass spectrum (electron ionization)

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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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Mass spectrum
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Additional Data

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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-2634
NIST MS number 229341

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Wilhoit and Shiao, 1964
Wilhoit, R.C.; Shiao, D., Thermochemistry of biologically important compounds. Heats of combustion of solid organic acids., J. Chem. Eng. Data, 1964, 9, 595-599. [all data]

Verkade, Hartman, et al., 1926
Verkade, P.E.; Hartman, H.; Coops, J., Calorimetric researches. X. Heats of combustion of successive terms of homologous series: dicarboxylic acids of the oxalic acid series, Rec. Trav. Chim. Pays/Bas, 1926, 45, 373-393. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Verkade, Hartman, et al., 1924
Verkade, P.E.; Hartman, H.; Coops, J., Jr., Chemistry - The molecular heat of combustion of successive terms of homologous series, Kom. Med. Akad. Ueknschap. Proc., 1924, 27, 859-866. [all data]

Fukai, Matsuo, et al., 1991
Fukai, M.; Matsuo, T.; Suga, H., Thermodynamic properties of phase transitions in malonic acid and its deuterated analog, Thermochim. Acta, 1991, 183, 215-243. [all data]

Wilhoit and Shiao, 1964, 2
Wilhoit, R.C.; Shiao, D., Thermochemistry of Biologically Important Compounds. Heats of Combustion of Solid Organic Acids, J. Chem. Eng. Data, 1964, 9, 595. [all data]

Ribeiro da Silva, Monte, et al., 1999
Ribeiro da Silva, Manuel A.V.; Monte, Manuel J.S.; Ribeiro, José R., Vapour pressures and the enthalpies and entropies of sublimation of five dicarboxylic acids, The Journal of Chemical Thermodynamics, 1999, 31, 8, 1093-1107, https://doi.org/10.1006/jcht.1999.0522 . [all data]

Al-Takhin, Pilcher, et al., 1983
Al-Takhin, G.; Pilcher, G.; Bickerton, J., Standard enthalpies of formation of diamine(dicarboxylato)platinum(II) complexes and of bis(pentane-2,4-dionato)platinum(II): the mean Pt-O bond dissociation enthalpies, J. Chem. Soc. Dalton Trans., 1983, 2657-2659. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Granovskaya, 1947
Granovskaya, A., Russ. J. Phys. Chem., 1947, 21, 967. [all data]

Hansen and Beyer, 2004
Hansen, Anne R.; Beyer, Keith D., Experimentally Determined Thermochemical Properties of the Malonic Acid/Water System: Implications for Atmospheric Aerosols, J. Phys. Chem. A, 2004, 108, 16, 3457-3466, https://doi.org/10.1021/jp0376166 . [all data]

Petropavlov, Tsygankova, et al., 1988
Petropavlov, N.N.; Tsygankova, I.G.; Teslenko, L.A., Microcalorimetric investigation of polymorphic transitions in organic crystals, Sov. Phys. Crystallogr., 1988, 33(6), 853-855. [all data]

Kumar, Prabhakar, et al., 2005
Kumar, M.R.; Prabhakar, S.; Nagaveni, V.; Vairamani, M., Estimation of gas-phase acidities of a series of dicarboxylic acids by the kinetic method, Rapid Commun. Mass Spectrom., 2005, 19, 8, 1053-1057, https://doi.org/10.1002/rcm.1888 . [all data]

Koros, Orban, et al., 1979
Koros, E.; Orban, M.; Nagy, Z., Calorimetric studies on the Belousov-Zhabotinsky oscillatory chemical reaction, Acta Chim. Acad. Sci. Hung., 1979, 100, 449-461. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References