Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

3-Cyclobutene-1,2-dione, 3,4-dihydroxy-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-515. ± 17.kJ/molCcbSellers, 1971 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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-598.2 ± 0.4kJ/molCcbSellers, 1971ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1261.67 ± 0.33kJ/molCcbSellers, 1971Corresponding «DELTA»fsolid = -598.20 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
121.6315.DeWit, Offringa, et al., 1983T = 300 to 450 K.; DH
121.300.Barth, Helwig, et al., 1979crystaline, II phase; T = 300 to 420 K. Data graphically only.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
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
Deltasub154.3kJ/molN/ADe Wit, Van Miltenburg, et al., 1983AC
Deltasub84. ± 17.kJ/molESellers, Holm, et al., 1971See also Pedley and Rylance, 1977.; AC
Deltasub84. ± 17.kJ/molESellers, 1971ALS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
152.5486.ME,TEDe Wit, Van Miltenburg, et al., 1983Based on data from 469. - 499. K.; AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.300372.2crystaline, IIcrystaline, IDeWit, Offringa, et al., 1983DH
0.347373.57crystaline, IIcrystaline, IBarth, Helwig, et al., 1979DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.8372.2crystaline, IIcrystaline, IDeWit, Offringa, et al., 1983DH
0.93373.57crystaline, IIcrystaline, IBarth, Helwig, et al., 1979DH

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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-5804
NIST MS number 230140

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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.

Sellers, 1971
Sellers, P., Enthalpies of formation of squaric acid and the corresponding diethyl ether, Acta Chem. Scand., 1971, 25, 2194-2198. [all data]

DeWit, Offringa, et al., 1983
DeWit, H.G.M.; Offringa, J.C.A.; De Kruif, C.G.; Van Miltenburg, J.C., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen and sulfur. III. Molar heat capacities measured by differential scanning calorimetry, Thermochim. Acta, 1983, 65, 43-51. [all data]

Barth, Helwig, et al., 1979
Barth, E.; Helwig, J.; Maier, H.D.; Mser, H.E.; Petersson, J., Specific heat of the two dimensional antiferroelectric squaric acid, Z. Phys., 1979, B34, 393-397. [all data]

De Wit, Van Miltenburg, et al., 1983
De Wit, H.G.M.; Van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen, and sulphur 1. Vapour pressures and enthalpies of sublimation, The Journal of Chemical Thermodynamics, 1983, 15, 7, 651-663, https://doi.org/10.1016/0021-9614(83)90079-4 . [all data]

Sellers, Holm, et al., 1971
Sellers, Peter; Holm, J.L.; Welch, B.J.; Prelesnik, A.; Zupancic, I.; Ehrenberg, L., Enthalpies of Formation of Squaric Acid and the Corresponding Diethyl Ether., Acta Chem. Scand., 1971, 25, 2194-2198, https://doi.org/10.3891/acta.chem.scand.25-2194 . [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]


Notes

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