Selected ATcT [1, 2] enthalpy of formation based on version 1.156 of the Thermochemical Network [3]

This version of ATcT results[3] was generated by additional expansion of version 1.148 to include species relevant to a recent study of the oxidation of ethylene [4] as well as new measurements that led to refining the thermochemistry of CF and SiF and their cations [5].

Hydrogen iodide

Formula: HI (aq, 5130 H2O)
CAS RN: 10034-85-2
ATcT ID: 10034-85-2*958
SMILES: I
InChI: InChI=1S/HI/h1H
InChIKey: XMBWDFGMSWQBCA-UHFFFAOYSA-N
Hills Formula: H1I1

2D Image:

I
Aliases: HI; Hydrogen iodide; Hydrogen monoiodide; Hydroiodic acid; Hydriodic acid; Iodhydric acid; Iodohydric acid; Iodohydrogen; Iodic acid; Iodine hydride; Iodine monohydride; UN 1787; UN 2197
Relative Molecular Mass: 127.912410 ± 0.000076

   ΔfH°(0 K)   ΔfH°(298.15 K)UncertaintyUnits
-56.645± 0.089kJ/mol

Top contributors to the provenance of ΔfH° of HI (aq, 5130 H2O)

The 2 contributors listed below account for 93.0% of the provenance of ΔfH° of HI (aq, 5130 H2O).

Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. The Reference acts as a further link to the relevant references and notes for the measurement. The Measured Quantity is normaly given in the original units; in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either to the value proposed by the original authors or to our estimate; if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds to the factor by which the prior uncertainty needed to be multiplied during the ATcT analysis in order to make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network.

Contribution
(%)
TN
ID
Reaction Measured Quantity Reference
80.91294.1 HI (g) → HI (aq, 5130 H2O) ΔrH°(298.15 K) = -19.862 ± 0.020 kcal/molVanderzee 1974
12.11287.1 HI (g) → H2 (g) I2 (g) ΔrG°(721.5 K) = 23.625 ± 0.080 kJ/molTaylor 1941, 3rd Law

Top 10 species with enthalpies of formation correlated to the ΔfH° of HI (aq, 5130 H2O)

Please note: The correlation coefficients are obtained by renormalizing the off-diagonal elements of the covariance matrix by the corresponding variances.
The correlation coefficient is a number from -1 to 1, with 1 representing perfectly correlated species, -1 representing perfectly anti-correlated species, and 0 representing perfectly uncorrelated species.


Correlation
Coefficent
(%)
Species Name Formula Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
Molecular
Mass
ATcT ID
99.8 Hydrogen iodideHI (aq, 5000 H2O)I-56.642± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*844
99.7 Hydrogen iodideHI (aq, 1500 H2O)I-56.521± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*840
99.7 Hydrogen iodideHI (aq, 20000 H2O)I-56.730± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*852
99.7 Hydrogen iodideHI (aq, 10000 H2O)I-56.693± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*850
99.7 Hydrogen iodideHI (aq, 700 H2O)I-56.412± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*835
99.7 Hydrogen iodideHI (aq, 1250 H2O)I-56.496± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*954
99.7 Hydrogen iodideHI (aq, 555.1 H2O)I-56.379± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*895
99.7 Hydrogen iodideHI (aq, 50000 H2O)I-56.764± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*855
99.4 Hydrogen iodideHI (aq, 4000 H2O)I-56.626± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*843
99.4 Hydrogen iodideHI (aq, 500 H2O)I-56.358± 0.090kJ/mol127.912410 ±
0.000076
10034-85-2*833

Most Influential reactions involving HI (aq, 5130 H2O)

Please note: The list, which is based on a hat (projection) matrix analysis, is limited to no more than 20 largest influences.

Influence
Coefficient
TN
ID
Reaction Measured Quantity Reference
0.9991295.1 HI (aq, 5000 H2O) → HI (aq, 5130 H2O) ΔrH°(298.15 K) = -0.0005 ± 0.001 kcal/molVanderzee 1974
0.9611294.1 HI (g) → HI (aq, 5130 H2O) ΔrH°(298.15 K) = -19.862 ± 0.020 kcal/molVanderzee 1974


References
1   B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner,
Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited.
J. Phys. Chem. A 108, 9979-9997 (2004) [DOI: 10.1021/jp047912y]
2   B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner,
Active Thermochemical Tables: Thermochemistry for the 21st Century.
J. Phys. Conf. Ser. 16, 561-570 (2005) [DOI: 10.1088/1742-6596/16/1/078]
3   B. Ruscic and D. H. Bross,
Active Thermochemical Tables (ATcT) values based on ver. 1.156 of the Thermochemical Network (2024); available at ATcT.anl.gov
4   N. A. Seifert, B. Ruscic, R. Sivaramakrishnan, and K. Prozument,
The C2H4O Isomers in the Oxidation of Ethylene
J. Mol. Spectrosc. 398, 111847/1-8 (2023) [DOI: 10.1016/j.jms.2023.111847]
5   U. Jacovella, B. Ruscic, N. L. Chen, H.-L. Le, S. Boyé-Péronne, S. Hartweg, M. Roy-Chowdhury, G. A. Garcia, J.-C. Loison, and B. Gans,
Refining Thermochemical Properties of CF, SiF, and Their Cations by Combining Photoelectron Spectroscopy, Quantum Chemical Calculations, and the Active Thermochemical Tables Approach
Phys. Chem. Chem. Phys. 25, 30838-30847 (2023) [DOI: 10.1039/D3CP04244H]
6   B. Ruscic,
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables.
Int. J. Quantum Chem. 114, 1097-1101 (2014) [DOI: 10.1002/qua.24605]
7   B. Ruscic and D. H. Bross,
Thermochemistry
Computer Aided Chem. Eng. 45, 3-114 (2019) [DOI: 10.1016/B978-0-444-64087-1.00001-2]

Formula
The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.

Uncertainties
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [6] and Ruscic and Bross[7]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.

Website Functionality Credits
The reorganization of the website was developed and implemented by David H. Bross (ANL).
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict.
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/.

Acknowledgement
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.