1,7-Dicarbadodecaborane(12)


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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple280.1KN/AGorbunov, Zalukaev, et al., 1981Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δsub16.1kcal/molAStephenson and Malanowski, 1987Based on data from 283. to 333. K.; AC
Δsub14.0 ± 0.24kcal/molN/APilcher and Skinner, 1983See also Miroshnichenko, Pavlovich, et al., 1976.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
15.1348.AStephenson and Malanowski, 1987Based on data from 333. to 423. K.; AC

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.009858.0crystaline, IVcrystaline, IIIGorbunov, Zalukaev, et al., 1981, 2DH
0.4548165.crystaline, IIIcrystaline, IIGorbunov, Zalukaev, et al., 1981, 2DH
1.034280.1crystaline, IIcrystaline, IGorbunov, Zalukaev, et al., 1981, 2DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.1758.0crystaline, IVcrystaline, IIIGorbunov, Zalukaev, et al., 1981, 2DH
2.27165.crystaline, IIIcrystaline, IIGorbunov, Zalukaev, et al., 1981, 2DH
3.54280.1crystaline, IIcrystaline, IGorbunov, Zalukaev, et al., 1981, 2DH

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, Phase change 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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.14PIOrlov, Pustobaev, et al., 1989LL
10.1 ± 0.2PIOrlov, Pustobaev, et al., 1988LL
10.1PEVondrak, 1987LBLHLM
10.19PEFehlner, 1975LLK
10.78 ± 0.05PEVondrak, 1987Vertical value; LBLHLM

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gorbunov, Zalukaev, et al., 1981
Gorbunov, V.E.; Zalukaev, V.L.; Gavrichev, K.S.; Mochalov, V.I.; Gal'chenko, G.L., Low-temperature heat capacity of 1,7-carborane(12)(m-carborane), Termodin. Org. Soedin., 1981, 1981, 3. [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]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Miroshnichenko, Pavlovich, et al., 1976
Miroshnichenko, E.A.; Pavlovich, V.K.; Lebedev, Yu.A.; Stanko, V.I.; Gal'chenko, G.L., Microcalorimetric determination of enthalpies of sublimation of carboranes, Termodin. Org. Soedin, 1976, 5, 3. [all data]

Gorbunov, Zalukaev, et al., 1981, 2
Gorbunov, V.E.; Zalukaev, V.L.; Gavrichev, K.S.; Mochalov, V.I.; Gal'chenko, G.L., Low-temperature heat capacity of 1, 7-carborane(12) (m-carborane), 1981, Termodin. [all data]

Orlov, Pustobaev, et al., 1989
Orlov, W.M.; Pustobaev, V.N.; Poroshina, T.Yu.; O'shevskaya, V.A.; Zakharkin, L.I.; Gal'chenko, G.L., Ionization energies of C-monoalkyl substituted ortho- and metacarboranes-12, Dokl. Phys. Chem., 1989, 309, 968, In original 892. [all data]

Orlov, Pustobaev, et al., 1988
Orlov, V.M.; Pustobaev, V.N.; Ol'shevskaya, V.A.; Zakharkin, L.I.; Gal'chenko, G.L., Study of the distribution of electron density in vinyl and aryl derivatives of closo-12-carboranes by photoionization mass specctrometry, Dokl. Phys. Chem., 1988, 300, 518. [all data]

Vondrak, 1987
Vondrak, T., He I photoelectron spectroscopic study of closo-dicarbadodecarboranes and their 9-halogeno derivatives, Tetrahedron, 1987, 6, 1559. [all data]

Fehlner, 1975
Fehlner, T.P., Photoelectron spectroscopy of closo-carboranes. Observation of exo-polyhedral molecular orbitals, Inorg. Chem., 1975, 14, 934. [all data]


Notes

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