Benzene-D6
- Formula: C6D6
- Molecular weight: 84.1488
- IUPAC Standard InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
- IUPAC Standard InChIKey: UHOVQNZJYSORNB-MZWXYZOWSA-N
- CAS Registry Number: 1076-43-3
- 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. - Isotopologues:
- Other names: Perdeuterobenzene; D6-Benzene; (2H6)benzene
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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
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 152.46 | 298. | Rabinovich and Nikolaev, 1962 | T = 10 to 35°C. |
| 149.4 | 298.5 | Ziegler and Andrews, 1942 | T = 100 to 320 K. Value is unsmoothed experimental datum. |
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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C6D6+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.25 ± 0.01 | PI | Dibeler and Reese, 1964 |
| 9.251 | S | El-Sayed, Kaaba, et al., 1961 |
| 9.251 ± 0.002 | S | Wilkinson, 1956 |
| 9.246 ± 0.005 | S | Price and Wood, 1935 |
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.
Rabinovich and Nikolaev, 1962
Rabinovich, I.B.; Nikolaev, P.N.,
Isotopic effect in the specific heat of some deutero compounds,
Dokl. Akad. Nauk, 1962, SSSR 142, 1335-1338. [all data]
Ziegler and Andrews, 1942
Ziegler, W.T.; Andrews, D.H.,
The heat capacity of benzene-d6,
J. Am. Chem. Soc., 1942, 64, 2482-2485. [all data]
Dibeler and Reese, 1964
Dibeler, V.H.; Reese, R.M.,
Mass spectrometric study of photoionization. I. Apparatus and initial observations on acetylene, acetylene-d2, benzene, and benzene-d6,
J. Res. NBS, 1964, 68A, 409. [all data]
El-Sayed, Kaaba, et al., 1961
El-Sayed, M.F.A.; Kaaba, M.; Tanaka, Y.,
Ionization potentials of benzene, hexadeuterobenzene, and pyridine from their observed Rydberg series in the region 600-2000 A,
J. Chem. Phys., 1961, 34, 334. [all data]
Wilkinson, 1956
Wilkinson, P.G.,
Absorption spectra and ionization potentials of benzene and benzene-d6,
J. Chem. Phys., 1956, 24, 917. [all data]
Price and Wood, 1935
Price, W.C.; Wood, R.W.,
The far ultraviolet absorption spectra and ionization potentials of C6H6 and C6D6,
J. Chem. Phys., 1935, 3, 439. [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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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