Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Reconciliation of Experimental and Computed Thermodynamic Properties for Methyl-Substituted 3-Ring Aromatics. Part 2: 3-Methylphenanthrene

Journal Article · · Journal of Chemical and Engineering Data
 [1];  [1];  [1]
  1. Thermodynamics Research Center, Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3337, United States

Not provided.

Research Organization:
National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC22-94PC91008
OSTI ID:
1977901
Journal Information:
Journal of Chemical and Engineering Data, Vol. 67, Issue 8; ISSN 0021-9568
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (49)

Reconciliation of Experimental and Computed Thermodynamic Properties for Methyl-Substituted 3-Ring Aromatics. Part 1: 9-Methylanthracene journal March 2022
Thermodynamic properties of methylquinolines: Experimental results for 2,6-dimethylquinoline and mutual validation between experiments and computational methods for methylquinolines journal May 2007
Thermodynamic properties of tert-butylbenzene and 1,4-di-tert-butylbenzene journal March 2009
Thermodynamic properties of three-ring aza-aromatics. 1. Experimental results for phenazine and acridine, and mutual validation of experiments and computational methods journal May 2010
Thermodynamic properties of three-ring aza-aromatics. 2. Experimental results for 1,10-phenanthroline, phenanthridine, and 7,8-benzoquinoline, and mutual validation of experiments and computational methods journal May 2010
Thermodynamic properties of 9-fluorenone: Mutual validation of experimental and computational results journal November 2012
Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene journal June 2014
Thermodynamic properties of xanthone: Heat capacities, phase-transition properties, and thermodynamic-consistency analyses using computational results journal July 2015
Thermodynamic properties of 1-naphthol: Mutual validation of experimental and computational results journal July 2015
Thermodynamic properties of indan: Experimental and computational results journal May 2016
Thermodynamic properties of pyrrole, 1-methylpyrrole, 2,4-dimethylpyrrole, and 2,5-dimethylpyrrole: Experimental and computational results journal January 2018
Thermodynamic properties of 2–methylindole: Experimental and computational results for gas-phase entropy and enthalpy of formation journal October 2018
A model two-dimensional potential for internal rotation of 9-methylanthracene studied by electronic spectroscopy and DFT calculations journal September 2006
Possible precursors and products of deep hydrodesulfurization of gasoline and distillate fuels. Part 2. The thermodynamic properties of 2,3-dihydrobenzo[b]thiophene journal August 2003
The thermodynamic properties of quinoline and isoquinoline journal November 1988
Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum. journal October 1966
Enthalpies of formation of ethylenediamine, 1,2,-propanediamine, 1,2,-butanediamine, 2-methyl-1,2-propanediamine, and isobutylamine. C-N and N-F thermochemical bond energies journal January 1970
Enthalpies of combustion of nine organic nitrogen compounds related to petroleum journal January 1972
Combustion Calorimetry of Organic Fluorine Compounds by a Rotating-Bomb Method journal August 1956
Thermochemistry and Vapor Pressure of Aliphatic Fluorocarbons. A Comparison of the C–F and C–H Thermochemical Bond Energies journal July 1959
Thermal expansion properties of organic crystals: a CSD study journal January 2021
Reduction to Standard States (at 25°) of Bomb Calorimetric Data for Compounds of Carbon, Hydrogen, Oxygen and Sulfur journal February 1954
Corrections to standard state in combustion calorimetry: An update and a web-based tool journal July 2021
Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane journal January 1969
Critical Evaluation of Thermodynamic Properties for Halobenzoic Acids Through Consistency Analyses for Results from Experiment and Computational Chemistry journal June 2017
Property-optimized Gaussian basis sets for molecular response calculations journal October 2010
An Integral-Direct Linear-Scaling Second-Order Møller–Plesset Approach journal September 2016
Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications journal June 2018
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability journal June 2017
P si4 1.4: Open-source software for high-throughput quantum chemistry journal May 2020
The MRCC program system: Accurate quantum chemistry from water to proteins journal February 2020
Efficient Estimation of Formation Enthalpies for Closed-Shell Organic Compounds with Local Coupled-Cluster Methods journal September 2018
Melting-point purity determinations: Limitations as evidenced by calorimetric studies in the melting region journal January 1957
New vapour pressure measurements for argon and nitrogen and a new method for establishing rational vapour pressure equations journal August 1973
Estimation of Pure-Component Properties from Group-Contributions journal July 1987
Die Flüssigkeitsdichte im Sättigungszustand. Untersuchungen über eine Erweiterung des Theorems der übereinstimmenden Zustände. Teil II: Die Flüssigkeitsdichte im Sättigungszustand journal May 1954
Liquid densities from 293 to 490 K of nine aromatic hydrocarbons journal September 1972
The Volumetric and Thermodynamic Properties of Fluids. III. Empirical Equation for the Second Virial Coefficient 1 journal May 1957
Correlation for the third virial coefficient usingTc,Pc andω as parameters journal January 1983
Fifty years of thermodynamics research at Bartlesville journal February 1995
Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation: II. Unsymmetrical Tops Attached to a Rigid Frame journal April 1946
Controls on distributions of methylphenanthrenes in sedimentary rock extracts: Critical evaluation of existing geochemical data from molecular modelling journal December 2010
Bond Dissociation Enthalpies of Large Aromatic Carbon-Centered Radicals journal November 2008
Beiträge zur Kenntnis des Anthracenöls des Steinkohlenteers journal December 1938
ThermoData Engine (TDE):  Software Implementation of the Dynamic Data Evaluation Concept journal July 2005
ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 3. Binary Mixtures journal January 2009
ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 4. Chemical Reactions journal November 2009
ThermoData Engine (TDE) Software Implementation of the Dynamic Data Evaluation Concept. 7. Ternary Mixtures journal December 2011
ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 9. Extensible Thermodynamic Constraints for Pure Compounds and New Model Developments journal November 2013