Propane, 1,3-dibromo-
- Formula: C3H6Br2
- Molecular weight: 201.888
- IUPAC Standard InChI: InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2
- IUPAC Standard InChIKey: VEFLKXRACNJHOV-UHFFFAOYSA-N
- CAS Registry Number: 109-64-8
- 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: α,γ-Dibromopropane; ω,ω'-Dibromopropane; Trimethylene bromide; Trimethylene dibromide; 1,3-Dibromopropane; CH2BrCH2CH2Br; Dibromo-1,3 propane
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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 (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 39.13 | 298.15 | Shehatta, 1993 | |
| 37.31 | 245.7 | Crowe and Smyth, 1950 | T = 117 to 246 K. Value is unsmoothed experimental datum. |
| 38.00 | 298. | Kurbatov, 1948 | T = 16 to 160°C, mean Cp three temperatures. |
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.07 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
| 10.1 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
| 10.26 | PE | Gounelle, Menard, et al., 1975 | Vertical value; LLK |
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.
Shehatta, 1993
Shehatta, I.,
Heat capacity at constant pressure of some halogen compounds,
Thermochim. Acta, 1993, 213, 1-10. [all data]
Crowe and Smyth, 1950
Crowe, R.W.; Smyth, C.P.,
Heat capacities, dielectric constants and molecular rotational freedom in solid trichloroethanes and disubstituted propanes,
J. Am. Chem. Soc., 1950, 72, 4009-4015. [all data]
Kurbatov, 1948
Kurbatov, V.Ya.,
Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons,
Zh. Obshch. Kim., 1948, 18, 372-389. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Gounelle, Menard, et al., 1975
Gounelle, Y.; Menard, C.; Pechine, J.M.; Solgadi, D.; Menes, F.; Botter, R.,
Conformational effects on ionization potentials; Photoelectron spectra of dibromo- and bromofluoro- alkyl compounds,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 247. [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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