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
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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 |
|---|---|---|---|---|---|
| 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) |
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 by: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference |
|---|---|---|
| 426.2 | 0.009 | Aldrich Chemical Company Inc., 1990 |
| 440.7 | 0.016 | Weast and Grasselli, 1989 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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| Source | Hagen, et al., 1968 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 15272 |
| Instrument | unknown |
| Melting point | 29.7-30.5 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, UV/Visible spectrum, 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]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Hagen, et al., 1968
Hagen, R., et al.,
Helv. Chim. Acta, 1968, 51, 45. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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