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Title: Enthalpy of Formation of N 2 H 4 (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). Close agreement was found between the ATcT (even excluding the latest theoretical result) and FPD enthalpies.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3]
  1. Department of Chemistry Washington State University, Pullman, Washington 99164-4630, United States
  2. Chemical Sciences and Engineering Division Argonne National Laboratory Argonne, Illinois 60439, United States
  3. Chemical Sciences and Engineering Division Argonne National Laboratory Argonne, Illinois 60439, United States; Computation Institute, The University of Chicago, Chicago, Illinois 60637, United States
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Basic Energy Sciences - Chemical Sciences, Geosciences, and Biosciences Division
OSTI Identifier:
1389317
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory; Journal Volume: 121; Journal Issue: 32
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 N 2 H 4 (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 N 2 H 4 (Hydrazine) Revisited. United States. doi:10.1021/acs.jpca.7b06017.
Feller, David, Bross, David H., and Ruscic, Branko. Wed . "Enthalpy of Formation of N 2 H 4 (Hydrazine) Revisited". United States. doi:10.1021/acs.jpca.7b06017.
@article{osti_1389317,
title = {Enthalpy of Formation of N 2 H 4 (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). 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 = {Wed Aug 02 00:00:00 EDT 2017},
month = {Wed Aug 02 00:00:00 EDT 2017}
}