2-Naphthalenol

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Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-29.9 ± 1.7kJ/molCcbRibeiro Da Silva, Ribeiro Da Silva, et al., 1988Hs=94.2±0.5 kJ/mol; Colomina, Roux, et al., 1974; ALS
Δfgas-30.0 ± 1.1kJ/molCcbColomina, Roux, et al., 1974, 2ALS
Δfgas-13.8kJ/molN/APushin, 1954Value computed using ΔfHsolid° value of -108.0 kj/mol from Pushin, 1954 and ΔsubH° value of 94.2 kj/mol from Ribeiro Da Silva, Ribeiro Da Silva, et al., 1988.; DRB
Quantity Value Units Method Reference Comment
gas366.6 ± 3.9J/mol*KN/AKudchadker S.A., 1978GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
36.8450.Kudchadker S.A., 1978GT
51.65100.
72.43150.
96.49200.
134.64273.15
147.82298.15
148.79300.
198.20400.
239.23500.
271.78600.
297.61700.
318.45800.
335.56900.
349.821000.
361.831100.
372.021200.
380.741300.
388.221400.
394.681500.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)7.87 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
7.89 ± 0.06SOikawa, Abe, et al., 1985LBLHLM
7.85 ± 0.05PIPotapov, Kardash, et al., 1972LLK
7.90PEUtsunomiya, Kobayashi, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C9H7+13.91CO+HEIOccolowitz and White, 1968RDSH
C9H8+11.27COEIOccolowitz and White, 1968RDSH

De-protonation reactions

C10H7O- + Hydrogen cation = 2-Naphthalenol

By formula: C10H7O- + H+ = C10H8O

Quantity Value Units Method Reference Comment
Δr1438. ± 8.8kJ/molG+TSTaft, 1987gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr1408. ± 8.4kJ/molIMRETaft, 1987gas phase; value altered from reference due to change in acidity scale; B

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1515
NIST MS number 229333

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References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Ribeiro Da Silva, Ribeiro Da Silva, et al., 1988
Ribeiro Da Silva, M.A.V.; Ribeiro Da Silva, M.D.M.C.; Pilcher, G., Enthalpies of combustion of 1-hydroxynaphthalene, 2-hydroxynaphthalene, and 1,2-, 1,3-, 1,4-, and 2,3-dihydroxynaphthalenes, J. Chem. Thermodyn., 1988, 20, 969-974. [all data]

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]

Colomina, Roux, et al., 1974, 2
Colomina, M.; Roux, M.V.; Turrion, C., Thermochemical properties of naphthalene compounds. II. Enthalpies of combustion and formation of the 1- and 2-naphthols, J. Chem. Thermodyn., 1974, 6, 571-576. [all data]

Pushin, 1954
Pushin, N.A., Heats of combustion and heats of formation of isomeric organic compounds, Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]

Kudchadker S.A., 1978
Kudchadker S.A., Ideal gas thermodynamic properties of 1- and 2-naphthol, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 1515-1520. [all data]

Oikawa, Abe, et al., 1985
Oikawa, A.; Abe, H.; Mikami, N.; Ito, M., Electronic spectra and ionization potentials of rotational isomers of severaldDisubstituted benzenes, Chem. Phys. Lett., 1985, 116, 50. [all data]

Potapov, Kardash, et al., 1972
Potapov, V.K.; Kardash, I.E.; Sorokin, V.V.; Sokolov, S.A.; Evlasheva, T.I., Photoionization of heteroaromatic compounds, Khim. Vys. Energ., 1972, 6, 392. [all data]

Utsunomiya, Kobayashi, et al., 1975
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron spectra of substituted naphthalenes, Bull. Chem. Soc. Jpn., 1975, 48, 1852. [all data]

Occolowitz and White, 1968
Occolowitz, J.L.; White, G.L., Energetic considerations in the assignment of some fragment ion structures, Australian J. Chem., 1968, 21, 997. [all data]

Taft, 1987
Taft, R.W., The Nature and Analysis of Substitutent Electronic Effects, Personal communication. See also Prog. Phys. Org. Chem., 1987, 16, 1. [all data]


Notes

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