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Adamantan-2-ol

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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), 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
Deltafgas-71.5 ± 1.1kcal/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
Deltafsolid-92.7 ± 0.9kcal/molCcbArora and Steele, 1978 
Quantity Value Units Method Reference Comment
Deltacsolid-1394.3 ± 0.9kcal/molCcbArora and Steele, 1978Corresponding «DELTA»fsolid = -92.7 kcal/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
Deltasub21.1 ± 0.38kcal/molMECharapennikau, Blokhin, et al., 2003Based on data from 303. - 318. K.; AC
Deltasub21.2 ± 0.6kcal/molVArora and Steele, 1978ALS
Deltasub21.3kcal/molN/AArora and Steele, 1978DRB
Deltasub21.2 ± 0.60kcal/molBGArora and Steele, 1978AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.854567.3Charapennikau, Blokhin, et al., 2003, 2AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
0.22325.2Salman and Abas, 1989CAL
2.28391.2

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.0717325.16crystaline, IVcrystaline, IIISalman and Abas, 1989, 2DH
0.8939391.16crystaline, IIIcrystaline, IISalman and Abas, 1989, 2DH
1.852516.16crystaline, IIcrystaline, ISalman and Abas, 1989, 2DH
0.0717325.16crystaline, IVcrystaline, IIISalman and Abas, 1988DH
0.8939391.16crystaline, IIIcrystaline, IISalman and Abas, 1988DH
1.852516.16crystaline, IIcrystaline, ISalman and Abas, 1988DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.22325.16crystaline, IVcrystaline, IIISalman and Abas, 1989, 2DH
2.28391.16crystaline, IIIcrystaline, IISalman and Abas, 1989, 2DH
3.590516.16crystaline, IIcrystaline, ISalman and Abas, 1989, 2DH
0.22325.16crystaline, IVcrystaline, IIISalman and Abas, 1988DH
2.28391.16crystaline, IIIcrystaline, IISalman and Abas, 1988DH
3.590516.16crystaline, 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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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 .


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

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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Download spectrum in JCAMP-DX format.

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-7224
NIST MS number 227510

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.


Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101200.1358.Suslov, Rudenko, et al., 1988N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySE-30145.1329.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30160.1348.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30175.1366.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30190.1381.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M145.1944.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillaryCarbowax 20M160.1962.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillaryCarbowax 20M175.1983.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101200.1383.Triska and Vodicka, 1991Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101210.1395.Triska and Vodicka, 1991Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101220.1404.Triska and Vodicka, 1991Column length: 50. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane1329.Bayat and Abad, 2011Program: not specified
CapillaryApiezon L1405.Kurbatova, Kolosova, et al., 2000Program: not specified

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), Gas Chromatography, 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]

Suslov, Rudenko, et al., 1988
Suslov, I.A.; Rudenko, B.A.; Arzamastsev, A.P., Capillary chromatography of adamantane derivatives, Zh. Anal. Khim., 1988, 43, 328-332. [all data]

Burkhard, Vais, et al., 1969
Burkhard, J.; Vais, J.; Vodicka, L.; Landa, S., Adamantane and its derivatives. XVI. The gas chromatographic characterization of adamantane derivatives, J. Chromatogr., 1969, 42, 207-218, https://doi.org/10.1016/S0021-9673(01)80617-8 . [all data]

Triska and Vodicka, 1991
Triska, J.; Vodicka, L., Characterization of ditopic oxygen-containing adamantane derivatives by capillary gas chromatography and thin-layer chromatography, Sbornik Vysoke Skoly Chemisco-Techlogicke v Praze, 1991, D59, 91-100. [all data]

Bayat and Abad, 2011
Bayat, Z.; Abad, M.F.Y., Quantitative structure-property relationship (QSPR) study of Kovats retention indices of some of adamantane derivatives by the genetic algorithm amd nultiply linear regression (GA-MLR) method, Petroleum Coal, 2011, 53, 2, 132-140. [all data]

Kurbatova, Kolosova, et al., 2000
Kurbatova, S.; Kolosova, E.; Solovova, N.; Finkelshtein, E.; Zemtsova, M., Gas-chromatographic investigation of adamantane oxygen derivatives, Vestn. Samara State Univ., 2000, 4, 18, 167-172. [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), Gas Chromatography, References