Enthalpy of Formation of N2H4 (Hydrazine) Revisited
Abstract
In order to address the accuracy of the long-standing experimental enthalpy of formation of gas-phase hydrazine, fully confirmed in earlier versions of Active Thermochemical Tables (ATcT), the provenance of that value is re-examined in light of new high-end calculations of the Feller-Peterson-Dixon (FPD) variety. An overly optimistic determination of the vaporization enthalpy of hydrazine, which created an unrealistically strong connection between the gas phase thermochemistry and the calorimetric results defining the thermochemistry of liquid hydrazine was identified as the probable culprit. The new enthalpy of formation of gas-phase hydrazine, based on balancing all available knowledge, was determined to be 111.57 ± 0.47 kJ/mol at 0 K (97.41 kJ/mol at 298.15 K). As a result, close agreement was found between the ATcT (even excluding the latest theoretical result) and FPD enthalpies.
- Authors:
-
[1];
[3]
- Washington State Univ., Pullman, WA (United States)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Argonne National Lab. (ANL), Argonne, IL (United States); The Univ. of Chicago, Chicago, IL (United States)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division
- OSTI Identifier:
- 1389317
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
- Additional Journal Information:
- Journal Volume: 121; Journal Issue: 32; Journal ID: ISSN 1089-5639
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Feller, David, Bross, David H., and Ruscic, Branko. Enthalpy of Formation of N2H4 (Hydrazine) Revisited. United States: N. p., 2017.
Web. doi:10.1021/acs.jpca.7b06017.
Feller, David, Bross, David H., & Ruscic, Branko. Enthalpy of Formation of N2H4 (Hydrazine) Revisited. United States. https://doi.org/10.1021/acs.jpca.7b06017
Feller, David, Bross, David H., and Ruscic, Branko. Thu .
"Enthalpy of Formation of N2H4 (Hydrazine) Revisited". United States. https://doi.org/10.1021/acs.jpca.7b06017. https://www.osti.gov/servlets/purl/1389317.
@article{osti_1389317,
title = {Enthalpy of Formation of N2H4 (Hydrazine) Revisited},
author = {Feller, David and Bross, David H. and Ruscic, Branko},
abstractNote = {In order to address the accuracy of the long-standing experimental enthalpy of formation of gas-phase hydrazine, fully confirmed in earlier versions of Active Thermochemical Tables (ATcT), the provenance of that value is re-examined in light of new high-end calculations of the Feller-Peterson-Dixon (FPD) variety. An overly optimistic determination of the vaporization enthalpy of hydrazine, which created an unrealistically strong connection between the gas phase thermochemistry and the calorimetric results defining the thermochemistry of liquid hydrazine was identified as the probable culprit. The new enthalpy of formation of gas-phase hydrazine, based on balancing all available knowledge, was determined to be 111.57 ± 0.47 kJ/mol at 0 K (97.41 kJ/mol at 298.15 K). As a result, close agreement was found between the ATcT (even excluding the latest theoretical result) and FPD enthalpies.},
doi = {10.1021/acs.jpca.7b06017},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 32,
volume = 121,
place = {United States},
year = {Thu Jul 20 00:00:00 EDT 2017},
month = {Thu Jul 20 00:00:00 EDT 2017}
}
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Works referencing / citing this record:
Ab initio dynamics of hydrogen abstraction from N 2 H 4 by OH radicals: an RRKM-based master equation study
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