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1-Naphthalenol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 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
Deltafgas-30.8 ± 1.6kJ/molCcbRibeiro Da Silva, Ribeiro Da Silva, et al., 1988Hs=91.2±0.4 kJ/mol; Colomina, Roux, et al., 1974; ALS
Deltafgas-29.9 ± 1.1kJ/molCcbColomina, Roux, et al., 1974, 2ALS
Deltafgas-4.3kJ/molN/APushin, 1954Value computed using «DELTA»fHsolid° value of -95.4 kj/mol from Pushin, 1954 and «DELTA»subH° value of 91.1 kj/mol from Pushin, 1954.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
37.4450.Kudchadker S.A., 1978GT
53.10100.
73.93150.
98.14200.
136.34273.15
149.44298.15
150.40300.
199.15400.
239.47500.
271.50600.
297.01700.
317.66800.
334.68900.
348.911000.
360.921100.
371.141200.
379.881300.
387.411400.
393.921500.

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid-122.0 ± 1.5kJ/molCcbRibeiro Da Silva, Ribeiro Da Silva, et al., 1988Hs=91.2±0.4 kJ/mol; Colomina, Roux, et al., 1974; ALS
Deltafsolid-121.0 ± 1.0kJ/molCcbColomina, Roux, et al., 1974, 2ALS
Deltafsolid-95.4kJ/molCcbPushin, 1954Author's hf298_condensed=-25.2 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-4960. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
285.393.Pacor, 1967DH
166.9298.Andrews, Lynn, et al., 1926T = 22 to 180°C.; DH

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil552.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil553.15KN/AAnonymous, 1968TRC
Tboil561.16KN/AMay, Berliner, et al., 1927Uncertainty assigned by TRC = 0.15 K; probably calculated from vapor pressure equation; TRC
Quantity Value Units Method Reference Comment
Tfus368. ± 2.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple368.2KN/AAndrews, Lynn, et al., 1926, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltasub91.2kJ/molN/ARibeiro Da Silva, Ribeiro Da Silva, et al., 1988DRB
Deltasub91.17 ± 0.42kJ/molVColomina, Roux, et al., 1974, 2ALS
Deltasub91.1kJ/molN/AColomina, Roux, et al., 1974, 2DRB
Deltasub91.5 ± 3.8kJ/molBAndrews, Lynn, et al., 1926See also Cox and Pilcher, 1970 and May, Berliner, et al., 1927, 2.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
58.5414.AStephenson and Malanowski, 1987Based on data from 399. - 556. K.; AC
60.8473.N/AMay, Berliner, et al., 1927, 2Based on data from 423. - 563. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
93.3305.AStephenson and Malanowski, 1987Based on data from 298. - 312. K. See also Aihara, 1960.; AC
84.3319.AStephenson and Malanowski, 1987In Ref. Aihara, 1960 the author mentions that there may be a small phase transition at 39.4 °C as evidenced in the log P versus 1/T graph; AC
89.1 ± 1.7304.MEArshadi, 1974Based on data from 279. - 328. K.; AC
91.2 ± 0.4296. - 313.MEColomina, Roux, et al., 1974, 2AC
71.5561.01VMay, Berliner, et al., 1927, 3ALS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
23.3368.7DSCRai, Pandey, et al., 2002AC
24.4369.7DSCRai and Rai, 1998AC
23.01369.N/AAcree, 1991AC
23.220369.N/APacor, 1967DH
23.470368.2N/AAndrews, Lynn, et al., 1926DH
23.47368.2CAndrews, Lynn, et al., 1926AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
62.9369.Pacor, 1967DH
63.6368.2Andrews, Lynn, et al., 1926DH

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
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)7.76 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
7.76 ± 0.03PIPotapov, Kardash, et al., 1972LLK
7.78PEUtsunomiya, Kobayashi, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C9H7+13.68CO+HEIOccolowitz and White, 1968RDSH
C9H8+11.73COEIOccolowitz and White, 1968RDSH

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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

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 Japan AIST/NIMC Database- Spectrum MS-NW-6154
NIST MS number 228210

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

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), 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, 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 Ewing and Steck, 1946
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. 535
Instrument Beckman DU
Melting point 95
Boiling point 288; 185(40)

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.

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]

Pacor, 1967
Pacor, P., Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis, Anal. Chim. Acta, 1967, 37, 200-208. [all data]

Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J., The heat capacities and heat of crystallization of some isomeric aromatic compounds, J. Am. Chem. Soc., 1926, 48, 1274-1287. [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]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

May, Berliner, et al., 1927
May, O.E.; Berliner, J.F.T.; Lynch, D.F.J., Studies in Vapor Pressure IV. The Naphthols, J. Am. Chem. Soc., 1927, 49, 1012. [all data]

Andrews, Lynn, et al., 1926, 2
Andrews, D.H.; Lynn, G.; Johnston, J., The Heat Capacities and Heat of Crystallization of Some Isomeric Aromatic Compounds, J. Am. Chem. Soc., 1926, 48, 1274. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

May, Berliner, et al., 1927, 2
May, Orville E.; Berliner, J.F.T.; Lynch, D.F.J., STUDIES IN VAPOR PRESSURE. IV. THE NAPHTHOLS, J. Am. Chem. Soc., 1927, 49, 4, 1012-1016, https://doi.org/10.1021/ja01403a018 . [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]

Aihara, 1960
Aihara, Ariyuki, Estimation of the Energy of Hydrogen Bonds Formed in Crystals. II. Phenols, Bull. Chem. Soc. Jpn., 1960, 33, 2, 194-200, https://doi.org/10.1246/bcsj.33.194 . [all data]

Arshadi, 1974
Arshadi, Mohammed R., Determination of heats of sublimation of organic compounds by a mass spectrometric--knudsen effusion method, J. Chem. Soc., Faraday Trans. 1, 1974, 70, 0, 1569, https://doi.org/10.1039/f19747001569 . [all data]

May, Berliner, et al., 1927, 3
May, O.E.; Berliner, J.F.T.; Lynch, D.F.J., Studies in vapor pressure. IV. The naphthols, J. Am. Chem. Soc., 1927, 49, 1012-10. [all data]

Rai, Pandey, et al., 2002
Rai, U.S.; Pandey, Pinky; Rai, R.N., Physical chemistry of binary organic eutectic and monotectic alloys; 1,2,4,5-tetrachlorobenzene--«alpha»-naphthol and TCB--resorcinol systems, Materials Letters, 2002, 53, 1-2, 83-90, https://doi.org/10.1016/S0167-577X(01)00458-X . [all data]

Rai and Rai, 1998
Rai, U.S.; Rai, R.N., Journal of Thermal Analysis and Calorimetry, 1998, 53, 3, 883-893, https://doi.org/10.1023/A:1010190402954 . [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]

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]

Ewing and Steck, 1946
Ewing, G.W.; Steck, E.a., Absorption spectra of heterocyclic compounds. I. Quinolinols and isoquinolinols, J. Am. Chem. Soc., 1946, 68, 2181-2187. [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