Propane, 1-chloro-2,2-dimethyl-
- Formula: C5H11Cl
- Molecular weight: 106.594
- IUPAC Standard InChI: InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
- IUPAC Standard InChIKey: JEKYMVBQWWZVHO-UHFFFAOYSA-N
- CAS Registry Number: 753-89-9
- 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: Neopentyl chloride; 1-Chloro-2,2-dimethylpropane; t-C4H9CH2Cl
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Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 357.5 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 357.15 | K | N/A | Whitmore, Pietrusza, et al., 1947 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Tboil | 357.55 | K | N/A | Whitmore and Fleming, 1933 | Uncertainty assigned by TRC = 0.7 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 253. | K | N/A | Fleming and Whitmore, 1932 | Uncertainty assigned by TRC = 4. K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.34 | 294. | A | Stephenson and Malanowski, 1987 | Based on data from 279. to 395. K. See also Dykyj, 1972.; AC |
Gas phase ion energetics data
Go To: Top, Phase change 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H9+ | 10.40 ± 0.05 | CH2Cl | EI | Holmes and Lossing, 1984 |
References
Go To: Top, Phase change 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Whitmore, Pietrusza, et al., 1947
Whitmore, F.C.; Pietrusza, E.W.; Sommer, L.H.,
Hydrogen-Halogen Exchange Reactions of Triethylsilane. A New Rearrangement of Neopentyl Chloride,
J. Am. Chem. Soc., 1947, 69, 2108. [all data]
Whitmore and Fleming, 1933
Whitmore, F.C.; Fleming, G.H.,
J. Am. Chem. Soc., 1933, 55, 4161. [all data]
Fleming and Whitmore, 1932
Fleming, G.H.; Whitmore, F.C.,
Chlorination of Neopentane,
J. Am. Chem. Soc., 1932, 54, 3460. [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]
Dykyj, 1972
Dykyj, J.,
Petrochemia, 1972, 12, 1, 13. [all data]
Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P.,
Heats of formation of organic radicals from appearance energies,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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