Squalane
- Formula: C30H62
- Molecular weight: 422.8133
- IUPAC Standard InChI: InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3
- IUPAC Standard InChIKey: PRAKJMSDJKAYCZ-UHFFFAOYSA-N
- CAS Registry Number: 111-01-3
- 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. - Other names: Tetracosane, 2,6,10,15,19,23-hexamethyl-; Cosbiol; Dodecahydrosqualene; Perhydrosqualene; Robane; Spinacane; Squalan; Vitabiosol; 2,6,10,15,19,23-Hexamethyltetracosane; Hexamethyltetracosane; Squalane N; NSC 6851
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -206.7 ± 1.5 | kcal/mol | Ccb | Zhang, Xu, et al., 1990 | ALS |
| ΔfH°liquid | -206.8 ± 1.4 | kcal/mol | Ccr | An, Yan, et al., 1982 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4732.6 ± 1.2 | kcal/mol | Ccb | Zhang, Xu, et al., 1990 | Corresponding ΔfHºliquid = -206.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -4732.47 ± 0.44 | kcal/mol | Ccr | An, Yan, et al., 1982 | Corresponding ΔfHºliquid = -206.83 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 211.85 | 298.15 | Trejo, Costas, et al., 1991 | DH |
Phase change 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 27.77 | 378. | A | Stephenson and Malanowski, 1987 | Based on data from 363. to 513. K. |
References
Go To: Top, 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.
Zhang, Xu, et al., 1990
Zhang, F.M.; Xu, G.D.; Qu, S.S.,
Studies on thermochemistry of porphyrins V. The standard energies of combustion and standard enthalpies of formation of bromoporphyrin compounds,
Acta Chimica Sinica, 1990, 48, 38-41. [all data]
An, Yan, et al., 1982
An, X.-W.; Yan, H.; Hu, R.-H.,
Determination of heats of combustion and enthalpies of formation of p-chlorobenzoic acid, squalane and perchloro-m-dicyanobenzene by means of rotating-bomb combustion calorimetry,
Acta Chim. Sin., 1982, 40, 713-719. [all data]
Trejo, Costas, et al., 1991
Trejo, L.M.; Costas, M.; Patterson, D.,
Excess heat capacity of organic mixtures, Internat. DATA Series,
Selected Data Mixt., 1991, Ser. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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