Docosane, 5-butyl-
- Formula: C26H54
- Molecular weight: 366.7070
- IUPAC Standard InChI: InChI=1S/C26H54/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26(23-8-5-2)24-9-6-3/h26H,4-25H2,1-3H3
- IUPAC Standard InChIKey: CSRNPDQIQWQJCM-UHFFFAOYSA-N
- CAS Registry Number: 55282-16-1
- 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: 5-Butyldocosane; 5-n-Butyldocosane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -140.4 ± 1.8 | kcal/mol | Ccb | Knowlton and Huffman, 1944 | Heat of formation derived by Cox and Pilcher, 1970 |
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 | -171.0 | kcal/mol | Ccb | Knowlton and Huffman, 1944 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4119.3 ± 1.6 | kcal/mol | Ccb | Knowlton and Huffman, 1944 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4119.0 kcal/mol; Corresponding ΔfHºliquid = -170.54 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 294.0 | K | N/A | Whitmore, Sutherland, et al., 1942 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 30.1 ± 0.2 | kcal/mol | E | Knowlton and Huffman, 1944 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 517.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 22.5 | 497. | A,MG | Stephenson and Malanowski, 1987 | Based on data from 482. to 518. K. See also Schiessler and Whitmore, 1955.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Knowlton and Huffman, 1944
Knowlton, J.W.; Huffman, H.M.,
The heats of combustion of some substituted eicosanes, heneicosanes and docosanes,
J. Am. Chem. Soc., 1944, 66, 1492-1494. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Whitmore, Sutherland, et al., 1942
Whitmore, F.C.; Sutherland, L.H.; Cosby, J.N.,
Higher Hydrocarbons. I. Seven Alkyl Substituted Docosanes.,
J. Am. Chem. Soc., 1942, 64, 1360. [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]
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]
Schiessler and Whitmore, 1955
Schiessler, R.W.; Whitmore, F.C.,
Properties of High Molecular Weight Hydrocarbons,
Ind. Eng. Chem., 1955, 47, 8, 1660-1665, https://doi.org/10.1021/ie50548a054
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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