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
View 3d structure (requires JavaScript / HTML 5) - Other names: m-Carborane; 1,7-Dicarbadodecaborane; m-Barene; m-Decarborocarborane; m-Dicarbadodecaborane; Neobarene; Neocarborane
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Condensed phase thermochemistry data
Go To: Top, 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: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°liquid | 211.8 | J/mol*K | N/A | Gorbunov, Zalukaev, et al., 1981 |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 229.2 | 298.15 | Gorbunov, Zalukaev, et al., 1981 | T = 10 to 330 K. |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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 |
|---|---|---|---|
| 10.14 | 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 |
References
Go To: Top, Condensed phase 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.
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]
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
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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