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Adamantane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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 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-134.4 ± 2.3kJ/molCcbClark, Knox, et al., 1979Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -132.9 ± 1.3 kJ/mol; Gas flow technique for Hs, see Clark, Knox, et al., 1975; ALS
Deltafgas-138.7kJ/molN/ABaroody and Carpenter, 1972Value computed using «DELTA»fHsolid° value of -193.8 kj/mol from Baroody and Carpenter, 1972 and «DELTA»subH° value of 55.1 kj/mol from Clark, Knox, et al., 1979.; DRB
Deltafgas-133.6 ± 2.5kJ/molCcbBoyd, Sanwal, et al., 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -128.2 ± 4.1 kJ/mol; ALS
Deltafgas-129. ± 4.kJ/molCcbButler, Carson, et al., 1971ALS
Deltafgas-137.9 ± 0.79kJ/molCcrMansson, Rapport, et al., 1970ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
87.78200.Boyd R.H., 1971Selected values were obtained by force field calculation. One can expect the uncertainty in Cp(T) values to be about 10 J/mol*K if compare with the authors' results for bicyclo[2.2.1]heptane.; GT
148.91298.15
150.12300.
215.22400.
274.22500.
323.51600.
398.99800.
452.581000.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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 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-192.5 ± 0.4kJ/molCcbClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975; ALS
Deltafsolid-193.8kJ/molCcbBaroody and Carpenter, 1972ALS
Deltafsolid-188.7 ± 2.8kJ/molCcbBoyd, Sanwal, et al., 1971ALS
Deltafsolid-188.4 ± 3.3kJ/molCcbButler, Carson, et al., 1971ALS
Deltafsolid-197.2 ± 0.79kJ/molCcrMansson, Rapport, et al., 1970ALS
Quantity Value Units Method Reference Comment
Deltacsolid-6029. ± 4.kJ/molCcbClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975; Corresponding «DELTA»fsolid = -192.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6033.1 ± 2.8kJ/molCcbBoyd, Sanwal, et al., 1971Corresponding «DELTA»fsolid = -188.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6033.4 ± 3.3kJ/molCcbButler, Carson, et al., 1971Corresponding «DELTA»fsolid = -188.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-6024.50 ± 0.71kJ/molCcrMansson, Rapport, et al., 1970Corresponding «DELTA»fsolid = -197.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar195.83J/mol*KN/AWestrum, 1961crystaline, I phase; DH
solid,1 bar195.83J/mol*KN/AChang and Westrum, 1960crystaline, I phase; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
189.74298.15Westrum, 1961crystaline, I phase; T = 5 to 350 K. Only values at 298.15 K given.; DH
189.74298.15Chang and Westrum, 1960crystaline, I phase; T = 5 to 350 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 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.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus552.KN/AAndrews, Carpenter, et al., 1978Crystal phase 1 phase; Uncertainty assigned by TRC = 3. K; TRC
Tfus542.15KN/AMair, Shamaiengar, et al., 1959Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltavap48.2kJ/molGCvan Roon, Parsons, et al., 2002AC
Deltavap51.7kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 403. - 453. K.; AC
Quantity Value Units Method Reference Comment
Deltasub59. ± 4.kJ/molAVGN/AAverage of 18 values; Individual data points

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
58.3308.N/AKabo, Blokhin, et al., 2000AC
59.7293.AStephenson and Malanowski, 1987Based on data from 278. - 368. K.; AC
55.3343.AStephenson and Malanowski, 1987Based on data from 328. - 373. K.; AC
54.3358.AStephenson and Malanowski, 1987Based on data from 343. - 483. K. See also Florian, 1968.; AC
59.7 ± 0.8326.TSGCClark, Knox, et al., 1975, 2Based on data from 310. - 336. K.; AC
59.5300.N/ALee and Slutsky, 1975Based on data from 278. - 443. K.; AC
59.3 ± 0.2326.BGBoyd, Sanwal, et al., 1971Based on data from 310. - 336. K.; AC
53.6332.IN/ABased on data from 312. - 366. K.; AC
58.6 ± 0.6333.DBMBratton, Szilard, et al., 1967Based on data from 313. - 353. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
13.8543.2N/AKabo, Blokhin, et al., 2000AC
10.9541.DSCChickos, Hesse, et al., 1998AC
10.9541.2N/ADomalski and Hearing, 1996See also Pirsch, 1966 and Hakvoort, 1993.; AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
3.376208.62crystaline, IIcrystaline, IWestrum, 1961DH
3.376208.62crystaline, IIcrystaline, IChang and Westrum, 1960DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
161.8208.62crystaline, IIcrystaline, IWestrum, 1961DH
16.18208.62crystaline, IIcrystaline, IChang and Westrum, 1960DH

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:


IR Spectrum

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

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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Download spectrum in JCAMP-DX format.

Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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, IR 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

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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 113399

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.


References

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

Clark, Knox, et al., 1979
Clark, T.; Knox, T.M.O.; McKervey, M.A.; Mackle, H.; Rooney, J.J., Thermochemistry of bridged-ring substances. Enthalpies of formation of some diamondoid hydrocarbons and of perhydroquinacene. Comparisons with data from empirical force field calculations, J. Am. Chem. Soc., 1979, 101, 2404-2410. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Clark, Knox, et al., 1975
Clark, T.; Knox, T.M.; Mackle, H.; McKervey, M.A.; Rooney, J.J., Calorimetric evaluation of enthalpies of formation of some bridged-ring hydrocarbons. Comparison with data from empirical force field calculations., J. Am. Chem. Soc., 1975, 97, 3835-3836. [all data]

Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A., Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]

Boyd, Sanwal, et al., 1971
Boyd, R.H.; Sanwal, S.N.; Shary-Tehrany, S.; McNally, D., The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons, J. Phys. Chem., 1971, 75, 1264-1271. [all data]

Butler, Carson, et al., 1971
Butler, R.S.; Carson, A.S.; Laye, P.G.; Steele, W.V., The enthalpy of formation of adamantane, J. Chem. Thermodyn., 1971, 3, 277-280. [all data]

Mansson, Rapport, et al., 1970
Mansson, M.; Rapport, N.; Westrum, E.F., Jr., Enthalpies of formation of globular molecules. I. Adamantane and hexamethylenetetramine, J. Am. Chem. Soc., 1970, 92, 7296-7299. [all data]

Boyd R.H., 1971
Boyd R.H., The thermochemistry, thermodynamic functions, and molecular structures of some cyclic hydrocarbons, J. Phys. Chem., 1971, 75, 1264-1271. [all data]

Westrum, 1961
Westrum, E.F., Jr., The thermophysical properties of three globular molecules, J. Phys. Chem. Solids, 1961, 18, 83-85. [all data]

Chang and Westrum, 1960
Chang, S.-S.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. I. Adamantane and hexamethylenetetramine, J. Phys. Chem., 1960, 64, 1547-1551. [all data]

Andrews, Carpenter, et al., 1978
Andrews, J.T.S.; Carpenter, R.E.; Martinko, T.M.; Fort, R.C.; Flood, T.A.; Adlington, M.G., Transition and Fusion Thermodynamics of Heteroadamantanes, Mol. Cryst. Liq. Cryst., 1978, 41, 357-61. [all data]

Mair, Shamaiengar, et al., 1959
Mair, B.J.; Shamaiengar, M.; Krouskop, N.C.; Rossini, F.D., Isolation of Adamantane from Petroleum, Analytical Chem., 1959, 32, 2082. [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]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Kabo, Blokhin, et al., 2000
Kabo, G.J.; Blokhin, A.V.; Charapennikau, M.B.; Kabo, A.G.; Sevruk, V.M., Thermodynamic properties of adamantane and the energy states of molecules in plastic crystals for some cage hydrocarbons, Thermochimica Acta, 2000, 345, 2, 125-133, https://doi.org/10.1016/S0040-6031(99)00393-7 . [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]

Florian, 1968
Florian, W., Messung des Dampfdruckes von Adamantan, Zeitschrift für Physikalische Chemie, 1968, 61, 56, 319-321, https://doi.org/10.1524/zpch.1968.61.56.319 . [all data]

Clark, Knox, et al., 1975, 2
Clark, Timothy; Knox, Trevor; Mackle, Henry; McKervey, M. Anthony; Rooney, John J., Heats of sublimation of some cage hydrocarbons by a temperature scanning technique, J. Chem. Soc., Faraday Trans. 1, 1975, 71, 0, 2107, https://doi.org/10.1039/f19757102107 . [all data]

Lee and Slutsky, 1975
Lee, Wen Yaung; Slutsky, L.J., Heat of vaporization, infrared spectrum, and lattice energy of adamantane, J. Phys. Chem., 1975, 79, 24, 2602-2604, https://doi.org/10.1021/j100591a007 . [all data]

Bratton, Szilard, et al., 1967
Bratton, W. Kevin; Szilard, I.; Cupas, Chris A., Enthalpy of sublimation of adamantane, J. Org. Chem., 1967, 32, 6, 2019-2021, https://doi.org/10.1021/jo01281a083 . [all data]

Chickos, Hesse, et al., 1998
Chickos, James; Hesse, Donald; Hosseini, Sarah; Nichols, Gary; Webb, Paul, Sublimation enthalpies at 298.15K using correlation gas chromatography and differential scanning calorimetry measurements, Thermochimica Acta, 1998, 313, 2, 101-110, https://doi.org/10.1016/S0040-6031(97)00432-2 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Pirsch, 1966
Pirsch, Josef, Das kryoskopische Verhalten von organischen Verbindungen mit Adamantan-Struktur, Monatshefte f«65533»r Chemie, 1966, 97, 1, 260-270, https://doi.org/10.1007/BF00905513 . [all data]

Hakvoort, 1993
Hakvoort, G., DSC calibration below 0°C, Calorim. Anal. Therm., 1993, 24, 177. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References