2-Naphthalenecarboxylic acid
- Formula: C11H8O2
- Molecular weight: 172.1800
- IUPAC Standard InChIKey: UOBYKYZJUGYBDK-UHFFFAOYSA-N
- CAS Registry Number: 93-09-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 2-Naphthoic acid; β-Naphthoic acid; Isonaphthoic acid; 2-Carboxynaphthalene; 2-Maythic acid; 2-Naphthioic acid; Naphthalene-β-carboxylic acid; NSC 59901; 2-Naphthylcarboxylic acid
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes
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 |
---|---|---|---|---|---|
ΔfH°solid | -82.71 ± 0.35 | kcal/mol | Ccb | Colomina, Roux, et al., 1974 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1228.0 ± 1.7 | kcal/mol | Ccb | Holdiness, 1983 | Corresponding ΔfHºsolid = -79.82 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -1225.11 ± 0.33 | kcal/mol | Ccb | Colomina, Roux, et al., 1974 | Corresponding ΔfHºsolid = -82.71 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -1225.11 ± 0.32 | kcal/mol | Ccb | Sabbah and Gilbert, 1974 | Corresponding ΔfHºsolid = -82.715 kcal/mol (simple calculation by NIST; no Washburn corrections) |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes
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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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
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Origin | Japan AIST/NIMC Database- Spectrum MS-NW-4530 |
NIST MS number | 232431 |
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.
Spectrum
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Additional Data
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Source | Bolshakov, et al., 1969 |
---|---|
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. 20231 |
Instrument | unknown |
Melting point | 185.5 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
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
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 289.55 | Pedersen, Durant, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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]
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]
Bolshakov, et al., 1969
Bolshakov, G.F., et al.,
Ultraviolet Spectra of Heteroorganic Compounds, 1969, 316. [all data]
Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R.,
Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds.,
Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c
. [all data]
Notes
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- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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