Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

1-Adamantanol

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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-74.3 ± 0.8kcal/molCcbSteele, 1979 
Deltafgas-74.3 ± 0.8kcal/molCcbArora and Steele, 1978 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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
Deltafsolid-95.0 ± 0.6kcal/molCcbArora and Steele, 1978 
Quantity Value Units Method Reference Comment
Deltacsolid-1392.0 ± 0.6kcal/molCcbArora and Steele, 1978Corresponding «DELTA»fsolid = -95.0 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
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
Tfus554.2KN/AChickos, Braton, et al., 1991Uncertainty assigned by TRC = 0.002 K; TRC
Quantity Value Units Method Reference Comment
Deltavap14.5kcal/molGCvan Roon, Parsons, et al., 2002AC
Quantity Value Units Method Reference Comment
Deltasub20.7 ± 0.05kcal/molCCharapennikau, Blokhin, et al., 2003AC
Deltasub20.7 ± 0.05kcal/molMECharapennikau, Blokhin, et al., 2003Based on data from 288. - 323. K.; AC
Deltasub20.7 ± 0.6kcal/molVArora and Steele, 1978ALS
Deltasub20.6kcal/molN/AArora and Steele, 1978DRB
Deltasub20.7 ± 0.60kcal/molBGArora and Steele, 1978AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.954552.9Charapennikau, Blokhin, et al., 2003, 2AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
1.6369.2Salman and Abas, 1989CAL

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.5975369.16crystaline, IIIcrystaline, IISalman and Abas, 1989, 2DH
1.704529.16crystaline, IIcrystaline, ISalman and Abas, 1989, 2DH
0.5975369.16crystaline, IIIcrystaline, IISalman and Abas, 1988DH
1.704529.16crystaline, IIcrystaline, ISalman and Abas, 1988DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.62369.16crystaline, IIIcrystaline, IISalman and Abas, 1989, 2DH
3.167529.16crystaline, IIcrystaline, ISalman and Abas, 1989, 2DH
1.62369.16crystaline, IIIcrystaline, IISalman and Abas, 1988DH
3.167529.16crystaline, IIcrystaline, ISalman and Abas, 1988DH

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, 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 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 ± 0.05PEWorley, Mateescu, et al., 1973LLK
9.23PEBodor, Dewar, et al., 1970RDSH

Mass spectrum (electron ionization)

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

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

View spectrum image in SVG format.

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-7223
NIST MS number 235705

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, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedPMS-1000230.1280.Arutyunov, Kudryashov, et al., 2004N2, Chromaton N-AW-DMCS; Column length: 2. m
PackedPMS-1000160.1270.Kurbatova, Moiseev, et al., 1999N2, Chromatron N-AW; Column length: 1. m
PackedApiezon L160.1333.Kurbatova, Moiseev, et al., 1999N2, Chromatron N-AW; Column length: 1. m
PackedPMS-1000160.1270.Kurbatova, Moiseev, et al., 1998Chromaton N-AW; Column length: 1. m
PackedApiezon L160.1333.Kurbatova, Moiseev, et al., 1998Chromaton N-AW; Column length: 1. m
CapillaryOV-101200.1311.Suslov, Rudenko, et al., 1988N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySE-30145.1268.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30160.1292.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30175.1301.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm
CapillarySE-30190.1313.Burkhard, Vais, et al., 1969N2; Column length: 50. m; Column diameter: 0.27 mm

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M160.1775.Kurbatova, Moiseev, et al., 1999N2, Chromatron N-AW; Column length: 1. m
PackedCarbowax 20M160.1775.Kurbatova, Moiseev, et al., 1998Chromaton N-AW; Column length: 1. m

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryAdamantyl siloxane160.1268.Konstantinova, Berezkin, et al., 200522. m/0.22 mm/0.20 «mu»m, Nitrogen
CapillaryAdamantyl siloxane160.1268.Konstantinova, Berezkin, et al., 2005, 2Nitrogen; Column length: 22. m; Column diameter: 0.22 mm
CapillaryOV-101200.1320.Triska and Vodicka, 1991Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101210.1332.Triska and Vodicka, 1991Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101220.1341.Triska and Vodicka, 1991Column length: 50. m; Column diameter: 0.25 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane1268.Bayat and Abad, 2011Program: not specified
CapillaryPMS-10001270.Kurbatova, Kolosova, et al., 2000Program: not specified
CapillaryApiezon L1333.Kurbatova, Kolosova, et al., 2000Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1775.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, 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.

Steele, 1979
Steele, W.V., Thermochemically determined «DELTA»H°f(g) values for ketones and alcohols, Private Communication, University of Stirling, Stirling, Scotland, 1979, 0. [all data]

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]

Chickos, Braton, et al., 1991
Chickos, J.S.; Braton, C.M.; Hesse, D.G.; Liebman, J.F., Estimating entropies and enthalpies of fusion of organic compounds, J. Org. Chem., 1991, 56, 3, 927, https://doi.org/10.1021/jo00003a007 . [all data]

van Roon, Parsons, et al., 2002
van Roon, André; Parsons, John R.; Govers, Harrie A.J., Gas chromatographic determination of vapour pressure and related thermodynamic properties of monoterpenes and biogenically related compounds, Journal of Chromatography A, 2002, 955, 1, 105-115, https://doi.org/10.1016/S0021-9673(02)00200-5 . [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]

Arutyunov, Kudryashov, et al., 2004
Arutyunov, Y.I.; Kudryashov, S.Y.; Onuchak, L.A., Analysis of Mixtures Containing Unknown Components by Gas Chromatography: Determination of Molecular Mass, J. Anal. Chem. USSR (Engl. Transl.), 2004, 59, 4, 358-365. [all data]

Kurbatova, Moiseev, et al., 1999
Kurbatova, S.V.; Moiseev, I.K.; Kudryashov, S.Yu.; Yashkin, S.N.; Postnikova, I.V., Chromatographic examination of the intermediate products of midantane synthesis, J. Anal. Chem. USSR (Engl. Transl.), 1999, 54, 1, 75-77. [all data]

Kurbatova, Moiseev, et al., 1998
Kurbatova, S.V.; Moiseev, I.K.; Klimochkin, Yu.N.; Arutyunov, Yu.N., Chromatography analysis of intermediates in the synthesis of remantadin, J. Anal. Chem. USSR (Engl. Transl.), 1998, 53, 9, 865-868. [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]

Konstantinova, Berezkin, et al., 2005
Konstantinova, K.K.; Berezkin, V.G.; Kurbatova, S.V.; Finkel'shtein, E.E., Relationship between physicochemical properties and chromatographic retention of some adamantane derivatives, Russ. J. Appl. Chem. (Engl. Transl.), 2005, 78, 9, 1498-1502, https://doi.org/10.1007/s11167-005-0546-y . [all data]

Konstantinova, Berezkin, et al., 2005, 2
Konstantinova, K.K.; Berezkin, V.G.; Kurbatova, S.V.; Finkel'stein, E.E., Relationship between Physicochemical Properties and Chromatographic Retention of Some Adamantane Derivatives, Rus. J. Applied Chem., 2005, 78, 9, 1522-1526, https://doi.org/10.1007/s11167-005-0546-y . [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, Mass spectrum (electron ionization), Gas Chromatography, References