Azulene, 1,4-dimethyl-7-(1-methylethyl)-
- Formula: C15H18
- Molecular weight: 198.3034
- IUPAC Standard InChI: InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
- IUPAC Standard InChIKey: FWKQNCXZGNBPFD-UHFFFAOYSA-N
- CAS Registry Number: 489-84-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Azulene, 7-isopropyl-1,4-dimethyl-; Azulen-Beris; Azulol; Azulon; Azunol; Cuteazul; Eucazulen; Guaiazulene; Gurjunazulen; Kessazulen; Purazulen; S-Guaiazulene; Silazulon; Uroazulen; Vetivazulen; 1,4-Dimethyl-7-isopropylazulene; 3,8-Dimethyl-5-(2-propyl)azulene; 7-Isopropyl-1,4-dimethylazulene; 1,4-Dimethyl-7-(1-methylethyl)azulene; Azulene, 1,4-dimethyl-7-isopropyl-; Guajazulene; Guiazulene; AZ-8; AZ-8 beris; Vaumigan; NSC 4714; 1,4-dimethyl-7-(1-methyl)-azulene (azulon)
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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -2040.20 ± 0.90 | kcal/mol | Ccb | Kovats, Gunthard, et al., 1955 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2040.0 ± 0.9 kcal/mol; Corresponding ΔfHºsolid = 14.60 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -2022.9 ± 1.8 | kcal/mol | Ccb | Perrottet, Taub, et al., 1940 | Corresponding ΔfHºsolid = -2.7 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics 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 evaluated by: Edward P. Hunter and Sharon G. Lias
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 235.0 | kcal/mol | N/A | Hunter and Lias, 1998 | |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 227.2 | kcal/mol | N/A | Hunter and Lias, 1998 |
References
Go To: Top, Condensed phase thermochemistry 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.
Kovats, Gunthard, et al., 1955
Kovats, E.; Gunthard, Hs.H.; Plattner, Pl.A.,
Thermische eigenschaften von azulenen,
Helv. Chim. Acta, 1955, 38, 1912-1919. [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]
Perrottet, Taub, et al., 1940
Perrottet, E.; Taub, W.; Briner, E.,
Sur etats energetiques comparatifs des noyaux azulenique et naphtalenique,
Helv. Chim. Acta, 1940, 23, 1260-1268. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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