1,7-Dicarbadodecaborane(12)
- Formula: C2H12B10
- Molecular weight: 144.227
- IUPAC Standard InChI: InChI=1S/C2H12B10/c1-3-2-4(1,3)6(1)8(2,4)10(2)7(2,3)5(1,3)9(1,6)11(5,7,10)12(6,8,9)10/h1-12H
- IUPAC Standard InChIKey: NHBIWBXUPGPZST-UHFFFAOYSA-N
- CAS Registry Number: 16986-24-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: m-Carborane; 1,7-Dicarbadodecaborane; m-Barene; m-Decarborocarborane; m-Dicarbadodecaborane; Neobarene; Neocarborane
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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 |
|---|---|---|---|---|---|
| Ttriple | 280.1 | K | N/A | Gorbunov, Zalukaev, et al., 1981 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 67.5 | kJ/mol | A | Stephenson and Malanowski, 1987 | Based on data from 283. to 333. K.; AC |
| ΔsubH° | 58.5 ± 1.0 | kJ/mol | N/A | Pilcher and Skinner, 1983 | See also Miroshnichenko, Pavlovich, et al., 1976.; AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 63.3 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 423. K.; AC |
Enthalpy of phase transition
| ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.041 | 58.0 | crystaline, IV | crystaline, III | Gorbunov, Zalukaev, et al., 1981, 2 | DH |
| 1.903 | 165. | crystaline, III | crystaline, II | Gorbunov, Zalukaev, et al., 1981, 2 | DH |
| 4.326 | 280.1 | crystaline, II | crystaline, I | Gorbunov, Zalukaev, et al., 1981, 2 | DH |
Entropy of phase transition
| ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.73 | 58.0 | crystaline, IV | crystaline, III | Gorbunov, Zalukaev, et al., 1981, 2 | DH |
| 9.50 | 165. | crystaline, III | crystaline, II | Gorbunov, Zalukaev, et al., 1981, 2 | DH |
| 14.8 | 280.1 | crystaline, II | crystaline, I | Gorbunov, Zalukaev, et al., 1981, 2 | DH |
Gas phase ion energetics data
Go To: Top, Phase change data, Gas Chromatography, 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 |
|---|---|---|---|
| 10.14 | PI | Orlov, Pustobaev, et al., 1989 | LL |
| 10.1 ± 0.2 | PI | Orlov, Pustobaev, et al., 1988 | LL |
| 10.1 | PE | Vondrak, 1987 | LBLHLM |
| 10.19 | PE | Fehlner, 1975 | LLK |
| 10.78 ± 0.05 | PE | Vondrak, 1987 | Vertical value; LBLHLM |
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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SF-96 | 160. | 1124. | Stuchlik and Pacakova, 1979 | |
| Packed | SF-96 | 200. | 1147. | Stuchlik and Pacakova, 1979 | |
| Packed | Apiezon L | 160. | 1150. | Stuchlik and Pacakova, 1979 | |
| Packed | Apiezon L | 200. | 1172. | Stuchlik and Pacakova, 1979 |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 160. | 1616. | Stuchlik and Pacakova, 1979 | N2, Chromosorb W DMCS; Column length: 2.4 m |
| Packed | Carbowax 20M | 200. | 1640. | Stuchlik and Pacakova, 1979 | N2, Chromosorb W DMCS; Column length: 2.4 m |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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),
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]
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, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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