1-Naphthalenecarboxylic acid

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-223.1kJ/molCcbColomina, Roux, et al., 1974 

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid-333.5 ± 1.0kJ/molCcbColomina, Roux, et al., 1974 
Quantity Value Units Method Reference Comment
Δcsolid-5110.7 ± 5.1kJ/molCcbBalcan, Arzik, et al., 1996Corresponding Δfsolid = -361.2 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-5150.9 ± 6.7kJ/molCcbHoldiness, 1983Corresponding Δfsolid = -321.0 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-5138.41 ± 0.88kJ/molCcbColomina, Roux, et al., 1974Corresponding Δfsolid = -333.5 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-5138.43 ± 0.87kJ/molCcbSabbah and Gilbert, 1974Corresponding Δfsolid = -333.50 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil573.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus434.15KN/AKhetarpal, Lal, et al., 1979Uncertainty assigned by TRC = 2. K; TRC
Tfus433.9KN/ABerliner and Winicov, 1959Uncertainty assigned by TRC = 0.8 K; TRC
Quantity Value Units Method Reference Comment
Δsub110.4kJ/molN/AColomina, Roux, et al., 1974DRB
Δsub113.64kJ/molCSabbah and Gilbert, 1974ALS
Δsub113.6kJ/molCSabbah and Gilbert, 1974AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
97.2472.AStephenson and Malanowski, 1987Based on data from 457. to 573. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
429. to 573.8.270994590.279-17.54Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
110.4 ± 0.2350.5VColomina, Roux, et al., 1974ALS
110.4 ± 0.2355.MEColomina, Roux, et al., 1974Based on data from 340. to 360. K. See also Pedley and Rylance, 1977 and Stephenson and Malanowski, 1987.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
19.89435.2Acree, 1991AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IE (eV) Method Reference Comment
8.29PEKlasinc, Kovac, et al., 1983 
8.29PEKlasinc, Kovac, et al., 1983Vertical value

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 221071

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Perkampus, 1967
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19767
Instrument Ziess PMQ II
Melting point 160

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Colomina, Roux, et al., 1974
Colomina, M.; Roux, M.V.; Turrion, C., Thermochemical properties of naphthalene compounds. I. Enthalpies of combustion and formation of the 1- and 2-naphthoic acids, J. Chem. Thermodyn., 1974, 6, 149-155. [all data]

Balcan, Arzik, et al., 1996
Balcan, M.; Arzik, S.; Altunata, T., The determination of the heats of combustion and the resonance energies of some substituted naphthalenes, Thermochim. Acta, 1996, 278, 49-56. [all data]

Holdiness, 1983
Holdiness, M.R., Heats of atomization and resonance energy of some ortho-substituted benzoic acids, Thermochim. Acta, 1983, 71, 257-263. [all data]

Sabbah and Gilbert, 1974
Sabbah, R.; Gilbert, E.M., Determination de L'energie de conjugaison des acides naphtoiques, Thermochim. Acta, 1974, 10, 345-351. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Khetarpal, Lal, et al., 1979
Khetarpal, S.C.; Lal, K.; Bhatnagar, H.L., Thermodynamic Studies on Melting of Some α- and β-Derivitives of Naphthalene, Aust. J. Chem., 1979, 32, 49. [all data]

Berliner and Winicov, 1959
Berliner, E.; Winicov, E.H., Dissociation Constants of Nitronaphtoic Acid, J. Am. Chem. Soc., 1959, 81, 1630-5. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H., Photoelectron spectra of acenes. Electronic structure and substituent effects, Pure Appl. Chem., 1983, 55, 289. [all data]

Perkampus, 1967
Perkampus, H.-H., UV atlas of organic compounds, 1967, 3, E1/10. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References