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Diadamantane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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-34.87 ± 0.58kcal/molCcbClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975 AND Carson, Laye, et al., 1971

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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-57.82 ± 0.55kcal/molCcbClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975 AND Carson, Laye, et al., 1971; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1942.06 ± 0.61kcal/molCcbClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975 AND Carson, Laye, et al., 1971; Corresponding «DELTA»fsolid = -57.81 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar47.839cal/mol*KN/AWestrum, McKervey, et al., 1978crystaline, III phase; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
52.63295.56Spinella, Andrews, et al., 1978crystaline, III phase; T = 295 to 540 K. Value is unsmoothed experimental datum.; DH
53.351298.15Westrum, McKervey, et al., 1978crystaline, III phase; T = 5 to 350 K. Data between 350 and 540 K taken from other work.; 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus524.KN/AClark, McKervey, et al., 1974Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Tfus523.KN/ACarson, Laye, et al., 1971, 2Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple517.92KN/ASpinella, Andrews, et al., 1978, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Deltasub22.93kcal/molVClark, Knox, et al., 1979Gas flow technique for Hs, see Clark, Knox, et al., 1975 AND Carson, Laye, et al., 1971; ALS
Deltasub22.9kcal/molN/AClark, Knox, et al., 1979DRB

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
22.9 ± 0.2319.TSGCClark, Knox, et al., 1975, 2Based on data from 305. - 333. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.07517.9Domalski and Hearing, 1996AC

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.062407.22crystaline, IIIcrystaline, IISpinella, Andrews, et al., 1978DH
2.141440.43crystaline, IIcrystaline, ISpinella, Andrews, et al., 1978DH
2.066517.92crystaline, IliquidSpinella, Andrews, et al., 1978DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.610407.22crystaline, IIIcrystaline, IISpinella, Andrews, et al., 1978DH
4.861440.43crystaline, IIcrystaline, ISpinella, Andrews, et al., 1978DH
3.989517.92crystaline, IliquidSpinella, Andrews, et al., 1978DH

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

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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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.93PEDewar and Worley, 1969RDSH

References

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

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]

Carson, Laye, et al., 1971
Carson, A.S.; Laye, P.G.; Steele, W.V.; Johnson, D.E.; McKervey, M.A., The enthalpy of formation of diamantane, J. Chem. Thermodyn., 1971, 3, 915-918. [all data]

Westrum, McKervey, et al., 1978
Westrum, E.F., Jr.; McKervey, M.A.; Andrews, J.T.S.; Fort, R.C., Jr.; Clark, T., Heat capacity and thermodynamic properties of diamantane from 5 to 540 K, J. Chem. Thermodynam., 1978, 10, 959-965. [all data]

Spinella, Andrews, et al., 1978
Spinella, G.M.; Andrews, J.T.S.; Bacon, W.E., Diamantane: heat capacity (300 to 540 K) and thermodynamics of transition and fusion, J. Chem. Thermodynam., 1978, 10, 1023-1032. [all data]

Clark, McKervey, et al., 1974
Clark, Timothy; McKervey, M. Anthony; Mackle, Henry; Rooney, John J., Pre-melting transitions in caged hydrocarbons, a general theory of disorder in plastic crystals, J. Chem. Soc., Faraday Trans. 1, 1974, 70, 0, 1279, https://doi.org/10.1039/f19747001279 . [all data]

Carson, Laye, et al., 1971, 2
Carson, A.S.; Laye, P.G.; Steele, W.V.; Johnston, D.E.; McKervey, M.A., The Enthalpy of Formation of Diamantane, J. Chem. Thermodyn., 1971, 3, 915. [all data]

Spinella, Andrews, et al., 1978, 2
Spinella, G.M.; Andrews, J.T.S.; Bacon, W.E.; Fort, R.C.; Sabo, J., Diamantane:heat capacity(300 to 540 K) and thermodynamics of transition and fusion, J. Chem. Thermodyn., 1978, 10, 1023-32. [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]

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]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]


Notes

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