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 | -864.7 ± 6.4 | kJ/mol | Ccb | Zhang, Xu, et al., 1990 | ALS |
| ΔfH°liquid | -865.4 ± 5.9 | kJ/mol | Ccr | An, Yan, et al., 1982 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -19801.3 ± 4.9 | kJ/mol | Ccb | Zhang, Xu, et al., 1990 | Corresponding ΔfHºliquid = -864.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -19800.6 ± 1.9 | kJ/mol | Ccr | An, Yan, et al., 1982 | Corresponding ΔfHºliquid = -865.39 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 886.36 | 298.15 | Trejo, Costas, et al., 1991 | DH |
References
Go To: Top, Condensed phase thermochemistry 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]
Notes
Go To: Top, Condensed phase thermochemistry 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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