DOI: 10.15490/fairdomhub.1.datafile.8235.1
title: Shortened Excel file of Thermotable (excel) computing standard (apparent) chemical potentials, standard biochemical potentials, and standard metabolic potentials

description: This is the abbreviated excel file used for the Thermotable calculations of Westerhoff et al (2026) FEBS J, in press entitled 'Metabolic thermodynamics: pertinent reference state and energy potentials'
It is also Supplement S4 of that paper.
As compared to the full file it addresses much fewer chemical species, but it does contain all the excel-based computation mechanisms, which are further explained in supplement S5 of the publication.
The Table allows variously transformed and gauge-shifted and reorganized standard chemical potentials.

It is based on standard chemical potentials obtained from a substantial number of literature sources, i.e.:

Alberty, R. A. 2006. Biochemical Thermodynamics: Applications of Mathematica (Wiley: Hoboken, NJ). A
Burton, K. and H.A. Krebs 1953. 'The free-energy changes associated with the individual steps of the tricarboxylic acid cycle, glycolysis and alcoholic fermentation and with the hydrolysis of the pyrophosphate groups of adenosinetriphosphate.', Biochem. J. 54, 94 -107. Bc
Cox, J. D., D. D. Wagman, and M. V. Medvedev. 1989. CODATA Key Values for Thermodynamics (HemispherePublishing Corp.: New York). C
eQuilibrator: The Biochemical Thermodynamics Calculator; Beber, M. E., M. G. Gollub, D. Mozaffari, K. M. Shebek, A. I. Flamholz, R. Milo, and E. Noor. 2022. 'eQuilibrator 3.0: a database solution for thermodynamic constant estimation', Nucleic Acids Res, 50: D603-d09. E
Ferguson, J.F. and Gavis, J. (1972) A Review of the Arsenic Cycle in Nature Waters. Water Research, 6, 1259-1274. page 1262. https://doi.org/10.1016/0043-1354(72)90052-8 F
Boerio-Goates, J., M. R. Francis, R. N. Goldberg, M.A.V. Ribeiro da Silva, M.D.M.C. Ribeiro da Silva, Y.B. Tewari. 2001. 'Thermochemistry of adenosine', The Journal of Chemical Thermodynamics 33, 929-947. https://doi.org/10.1006/jcht.2001.0820. Goldberg R. and Y. Tewari. 1989. 'Thermodynamic and Transport Properties of Carbohydrates and their Monophosphates: The Pentoses and Hexoses', Journal of Physical and Chemical Reference Data 18, 809-880. DOI: 10.1063/1.555831, pp. 872-874. Goldberg, R. N. 2009. 'Thermodynamics network calculations applied to biochemical substances and reactions.' in M.G. Hicks, Kettner, C. (ed.), PROCEEDINGS OF THE 4TH BEILSTEIN ESCEC SYMPOSIUM EXPERIMENTAL STANDARD CONDITIONS OF ENZYME CHARACTERIZATION (Beilstein-Institut). G
Stull, D. and Prophet, H. (1971), JANAF thermochemical tables, second edition: National Institute of Standards and Technology, Gaithersburg, MD, [online], https://doi.org/10.6028/NBS.NSRDS.37 (Accessed July 24, 2025) J
Miller, S.L., and D. Smith-Magowan. 1990. 'The Thermodynamics of the Krebs Cycle and Related Compounds', J. Phys. Chem. Ref. Data, 19: 1049-73. M
Ould-Moulaye, C.B., C.G. Dussap, J.B. Gros. 2001. ‘A consistent set of formation properties of nucleic acid compounds.’ Thermochimica Acta, 375. 93-107. doi:10.1016/s0040-6031(01)00522-6 and Ould-Moulaye, C.B., C.G Dussap, J.B Gros. 2002. 'A consistent set of formation properties of nucleic acid compounds: Nucleosides, nucleotides and nucleotide-phosphates in aqueous solution', Thermochimica Acta 387, 1-15. https://doi.org/10.1016/S0040-6031(01)00814-0 O
Cox, J.D. and G. Pilcher. 1970. 'Thermochemistry of Organic and Organometallic Compounds'. Academic Press, London and New York 1970. Pc
Pourbaix, M. 1974.  Atlas of electrochemical equilibria in aqueous solutions. Atlas d'équilibres électrochemiques. 2nd English ed. Imprint Houston, Tex.: National Association of Corrosion Engineers, 1974. sections 12.1 and 18.3. Pou
Pitzer, K.S. 1995. Thermodynamics (McGraw-Hill: New York). Q
Thauer, R. K., K. Jungermann, and K. Decker. 1977. 'Energy conservation in chemotrophic anaerobic bacteria', Bacteriol Rev, 41: 100-80. T
Robie, R.A., B.S. Hemingway, and J.R. Fisher. 1978. ' Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (105 pascals) pressure and at higher temperatures' Bulletin 1452, https://doi.org/10.3133/b1452 U
Wilhoit, R.C. 1969. 'Thermodynamic Properties of Biochemical Substances.' in H.D. Brown (ed.), Biochemical Microcalorimetry (Academic Press: New York). Wc
Wagman, D. D., W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, and R. L. Nutall. 1982. 'The NBS Tables of Chemical Thermodynamic Properties', J. Phys. Chem. Ref. Data, 11. Z