1-Methyladamantane

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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-171.7 ± 2.6kJ/molCcbClark, Knox, et al., 1979Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -169.7 ± 1.4 kJ/mol; Gas flow technique for Hs,see Clark, Knox, et al., 1975
Δfgas-171.5 ± 2.9kJ/molCcbSteele and Watt, 1977Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -175. ± 2. kJ/mol

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-237.3 ± 1.3kJ/molCcbClark, Knox, et al., 1979Gas flow technique for Hs,see Clark, Knox, et al., 1975
Δfsolid-243. ± 2.kJ/molCcbSteele and Watt, 1977 
Quantity Value Units Method Reference Comment
Δcsolid-6663.8 ± 1.3kJ/molCcbClark, Knox, et al., 1979Gas flow technique for Hs,see Clark, Knox, et al., 1975; Corresponding Δfsolid = -237.3 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-6658. ± 2.kJ/molCcbSteele and Watt, 1977Corresponding Δfsolid = -243. 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:
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
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

Quantity Value Units Method Reference Comment
Tfus392.KN/AClark, Knox, et al., 1977Crystal phase 1 phase; Uncertainty assigned by TRC = 3.71 K; TRC
Quantity Value Units Method Reference Comment
Δsub67.57kJ/molVClark, Knox, et al., 1979Gas flow technique for Hs,see Clark, Knox, et al., 1975; ALS
Δsub65.6kJ/molN/AClark, Knox, et al., 1979DRB
Δsub68. ± 1.kJ/molVSteele and Watt, 1977ALS
Δsub71.5kJ/molN/ASteele and Watt, 1977DRB
Δsub67.8 ± 1.3kJ/molBGSteele and Watt, 1977Based on data from 300. to 342. K.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Reference Comment
67.6 ± 0.5321.Clark, Knox, et al., 1975, 2Based on data from 306. to 336. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
3.71392.Clark, Knox, et al., 1977AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
11.27169.5Clark, Knox, et al., 1977CAL
6.95211.5
9.46392.

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2-Methyladamantane = 1-Methyladamantane

By formula: C11H18 = C11H18

Quantity Value Units Method Reference Comment
Δr-14.1 ± 0.46kJ/molEqkEngler, Blanchard, et al., 1972liquid phase; GLC

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
9.17 ± 0.02PEWorley, Mateescu, et al., 1973LLK
9.24PEBodor, Dewar, et al., 1970RDSH

References

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

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]

Steele and Watt, 1977
Steele, W.V.; Watt, I., The standard enthalpies of formation of adamantanoid compounds 4. Methyladamantanes, J. Chem. Thermodyn., 1977, 9, 843-849. [all data]

Clark, Knox, et al., 1977
Clark, Timothy; Knox, Trevor Mc.O.; Mackle, Henry; McKervey, M. Anthony, Order--disorder transitions in substituted adamantanes, J. Chem. Soc., Faraday Trans. 1, 1977, 73, 0, 1224, https://doi.org/10.1039/f19777301224 . [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]

Engler, Blanchard, et al., 1972
Engler, E.M.; Blanchard, K.R.; Schleyer, P.v.R., Enhanced axial-equatorial enthalpy differences in the methyl adamantanes, J. Chem. Soc. Chem. Commun., 1972, 1210-1212. [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

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