Butane, 2-chloro-2,3-dimethyl-
- Formula: C6H13Cl
- Molecular weight: 120.620
- IUPAC Standard InChI: InChI=1S/C6H13Cl/c1-5(2)6(3,4)7/h5H,1-4H3
- IUPAC Standard InChIKey: HEMQRALQJLCVBR-UHFFFAOYSA-N
- CAS Registry Number: 594-57-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Chloro-2,3-dimethylbutane
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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -62.6 ± 0.5 | kcal/mol | Cm | Arnett and Pienta, 1980 | Hydrochlorination |
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:
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 | 385.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 382.65 | K | N/A | Schmerling and West, 1954 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 381.65 | K | N/A | Levina, Tantsyreva, et al., 1952 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Tboil | 385.15 | K | N/A | Ecke, Cook, et al., 1950 | Uncertainty assigned by TRC = 1.5 K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.08 | 316. | A | Stephenson and Malanowski, 1987 | Based on data from 301. to 426. K. See also Dykyj, 1972.; AC |
Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
=
By formula: C6H12 + HCl = C6H13Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.91 ± 0.33 | kcal/mol | Cm | Arnett and Pienta, 1980 | liquid phase; solvent: Methylene chloride; Hydrochlorination |
+
=
By formula: C6H12 + HCl = C6H13Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -14.86 ± 0.41 | kcal/mol | Cm | Arnett and Pienta, 1980 | liquid phase; solvent: Methylene chloride; Hydrochlorination |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Arnett and Pienta, 1980
Arnett, E.M.; Pienta, N.J.,
Stabilities of carbonium ions in solution. 12. Heats of formation of alkyl chlorides as an entree to heats of solvation of aliphatic carbonium ions,
J. Am. Chem. Soc., 1980, 102, 3329-3334. [all data]
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]
Schmerling and West, 1954
Schmerling, L.; West, J.P.,
J. Am. Chem. Soc., 1954, 76, 1917. [all data]
Levina, Tantsyreva, et al., 1952
Levina, R.Ya.; Tantsyreva, T.I.; Fainzil'berg, A.A.,
Synthesis of Hydrocarbons XX. Synthesis of Alkenes and Alkanes with A Quarternary Carbon Atom,
Zh. Obshch. Khim., 1952, 22, 571. [all data]
Ecke, Cook, et al., 1950
Ecke, G.C.; Cook, N.C.; Whitmore, F.C.,
Some Reactions of t-Butylethylene,
J. Am. Chem. Soc., 1950, 72, 1511. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tboil Boiling point ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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