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 1: 9-Methylanthracene

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:
1977900
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 (75)

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
CODATA recommended values of the fundamental physical constants: 2018 journal June 2021
The International Practical Temperature Scale of 1968 journal April 1969
Conversion of temperatures and thermodynamic properties to the basis of the International Temperature Scale of 1990 (Technical Report) journal January 1992
Simple calibration procedures for platinum resistance thermometers from 2.5 to 14 K journal May 1975
The thermodynamic properties of quinoline and isoquinoline journal November 1988
The measurement of accurate heat capacities by differential scanning calorimetry Comparison of d.s.c. results on pyrite (100 to 800 K) with literature values from precision adiabatic calorimetry journal June 1979
Thermodynamic Properties of Synthetic Sapphire (α‐Al 2 O 3 ), Standard Reference Material 720 and the Effect of Temperature‐Scale Differences on Thermodynamic Properties journal November 1993
Fifty years of thermodynamics research at Bartlesville journal February 1995
Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum. journal October 1966
The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use journal June 2002
Possible precursors and products of deep hydrodesulfurization of gasoline and distillate fuels III. The thermodynamic properties of 1,2,3,4-tetrahydrodibenzothiophene journal June 2004
Pressure measurements in the 0.01-30 torr range with an inclined-piston gauge journal June 1965
The thermodynamic properties of 4,5,9,10-tetrahydropyrene and of 1,2,3,6,7,8-hexahydropyrene journal June 1993
Reconciliation of calorimetrically and spectroscopically derived thermodynamic properties at pressures greater than 0.1 MPa for benzene and methylbenzene: the importance of the third virial coefficient journal January 1994
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
Pyrene: vapor pressure, enthalpy of combustion, and chemical thermodynamic properties journal October 1980
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
Thermal expansion properties of organic crystals: a CSD study journal January 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
Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules journal January 1971
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen journal January 1989
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
Form of a Wide-Range Vapor Pressure Equation journal April 1954
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
The thermodynamic properties of chroman and isochroman journal July 1990
Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation: II. Unsymmetrical Tops Attached to a Rigid Frame journal April 1946
X-ray diffraction studies of 9-methylanthracene and 5-methylnaphthacene journal February 1979
Infrared Spectra of Substituted Polycyclic Aromatic Hydrocarbons journal February 1998
Structure, Spectral Features, Bioactivity and Light Harvesting Properties of Methyl and Dimethyl Anthracene: Experimental and First Principle Studies journal December 2019
Picosecond excitation and selective intramolecular rates in supersonic molecular beams. IV. Alkylanthracenes journal April 1985
S0 and S1 spectroscopy of jet cooled 9-cyano-10-methylanthracene: The methyl group as a molecular rotor journal September 2005
CH 3 Internal Rotation in the S 0 and S 1 States of 9-Methylanthracene journal February 2009
Large amplitude motion in 9-methylanthracene: High-resolution spectroscopy and Ab Initio theoretical calculation journal February 2020
Popular Theoretical Methods Predict Benzene and Arenes To Be Nonplanar journal June 2006
Efficient Ab Initio Estimation of Formation Enthalpies for Organic Compounds: Extension to Sulfur and Critical Evaluation of Experimental Data journal September 2021
Spektrochemische Untersuchungen an mehrkernigen aromatischen Verbindungen in Lösungen journal January 1923
Vapor pressures and enthalpies of vaporization of thianthrene, acridine, and 9-methylanthracene at elevated temperatures journal December 1983
Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons journal July 2008
The thermodynamic properties of biphenyl journal December 1989
Thermochemistry of some alkylsubstituted anthracenes journal April 2006
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