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1,7-Dicarbadodecaborane(12)


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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid50.62cal/mol*KN/AGorbunov, Zalukaev, et al., 1981 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
54.78298.15Gorbunov, Zalukaev, et al., 1981T = 10 to 330 K.

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, Kenneth Kroenlein 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., 1981, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltasub16.1kcal/molAStephenson and Malanowski, 1987Based on data from 283. - 333. K.; AC
Deltasub14.0 ± 0.24kcal/molN/APilcher and Skinner, 1983See also Miroshnichenko, Pavlovich, et al., 1976.; AC

Enthalpy of sublimation

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

Enthalpy of phase transition

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

Entropy of phase transition

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

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:
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

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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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 RADIAN CORP
NIST MS number 73585

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Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSF-96160.1124.Stuchlik and Pacakova, 1979 
PackedSF-96200.1147.Stuchlik and Pacakova, 1979 
PackedApiezon L160.1150.Stuchlik and Pacakova, 1979 
PackedApiezon L200.1172.Stuchlik and Pacakova, 1979 

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M160.1616.Stuchlik and Pacakova, 1979N2, Chromosorb W DMCS; Column length: 2.4 m
PackedCarbowax 20M200.1640.Stuchlik and Pacakova, 1979N2, Chromosorb W DMCS; Column length: 2.4 m

References

Go To: Top, 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.

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), 1981, Termodin. [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), 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]

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]

Stuchlik and Pacakova, 1979
Stuchlik, J.; Pacakova, V., Gas chromatographic behaviour of some carboranes, J. Chromatogr., 1979, 174, 1, 224-227, https://doi.org/10.1016/S0021-9673(00)87057-0 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References