Adamantan-2-ol

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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-299. ± 4.6kJ/molCcbArora and Steele, 1978 

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-388. ± 4.kJ/molCcbArora and Steele, 1978 
Quantity Value Units Method Reference Comment
Δcsolid-5834. ± 4.kJ/molCcbArora and Steele, 1978Corresponding Δfsolid = -388. 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δsub88.1 ± 1.6kJ/molMECharapennikau, Blokhin, et al., 2003Based on data from 303. to 318. K.; AC
Δsub89. ± 3.kJ/molVArora and Steele, 1978ALS
Δsub89.0kJ/molN/AArora and Steele, 1978DRB
Δsub88.7 ± 2.5kJ/molBGArora and Steele, 1978AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
11.94567.3Charapennikau, Blokhin, et al., 2003, 2AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
0.92325.2Salman and Abas, 1989CAL
9.56391.2

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.300325.16crystaline, IVcrystaline, IIISalman and Abas, 1989, 2DH
3.740391.16crystaline, IIIcrystaline, IISalman and Abas, 1989, 2DH
7.750516.16crystaline, IIcrystaline, ISalman and Abas, 1989, 2DH
0.300325.16crystaline, IVcrystaline, IIISalman and Abas, 1988DH
3.740391.16crystaline, IIIcrystaline, IISalman and Abas, 1988DH
7.750516.16crystaline, IIcrystaline, ISalman and Abas, 1988DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.92325.16crystaline, IVcrystaline, IIISalman and Abas, 1989, 2DH
9.56391.16crystaline, IIIcrystaline, IISalman and Abas, 1989, 2DH
15.02516.16crystaline, IIcrystaline, ISalman and Abas, 1989, 2DH
0.92325.16crystaline, IVcrystaline, IIISalman and Abas, 1988DH
9.56391.16crystaline, IIIcrystaline, IISalman and Abas, 1988DH
15.02516.16crystaline, IIcrystaline, ISalman and Abas, 1988DH

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 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

Ionization energy determinations

IE (eV) Method Reference Comment
9.09 ± 0.07PEWorley, Mateescu, et al., 1973LLK
9.25PEBodor, Dewar, et al., 1970RDSH

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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


References

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

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

Arora and Steele, 1978
Arora, M.; Steele, W.V., The standard enthalpies of formation of adamantanoid compounds 5. Adamantanols and adamantanone, J. Chem. Thermodyn., 1978, 10, 403-407. [all data]

Charapennikau, Blokhin, et al., 2003
Charapennikau, M.B.; Blokhin, A.V.; Kabo, G.J.; Sevruk, V.M.; Krasulin, A.P., Thermodynamic properties of three adamantanols in the ideal gas state, Thermochimica Acta, 2003, 405, 1, 85-91, https://doi.org/10.1016/S0040-6031(03)00126-6 . [all data]

Charapennikau, Blokhin, et al., 2003, 2
Charapennikau, M.B.; Blokhin, A.V.; Kabo, A.G.; Kabo, G.J., The heat capacities and parameters of solid phase transitions and fusion for 1- and 2-adamantanols, The Journal of Chemical Thermodynamics, 2003, 35, 1, 145-157, https://doi.org/10.1016/S0021-9614(02)00317-8 . [all data]

Salman and Abas, 1989
Salman, S.R.; Abas, K.F., Thermal behaviour of 2-hydroxyadamantane, Thermochim. Acta, 1989, 142, 2, 245, https://doi.org/10.1016/0040-6031(89)85022-1 . [all data]

Salman and Abas, 1989, 2
Salman, S.R.; Abas, K.F., Thermal behaviour of 2-hydroxyadamantane, Thermmochim. Acta, 1989, 142(2), 245-249. [all data]

Salman and Abas, 1988
Salman, S.R.; Abas, K.F., Thermal behaviour of 2-hydroxyadamantane, Thermochim. Acta, 1988, 136, 81-85. [all data]

Worley, Mateescu, et al., 1973
Worley, S.D.; Mateescu, G.D.; McFarland, C.W.; Fort, R.C., Jr.; Sheley, C.F., Photoelectron spectra and MINDO-SCF-MO calculations for adamantane and some of its derivatives, J. Am. Chem. Soc., 1973, 95, 7580. [all data]

Bodor, Dewar, et al., 1970
Bodor, N.; Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO SCF MO method, J. Am. Chem. Soc., 1970, 92, 19. [all data]


Notes

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