1,5-Hexadien-3-yne
- Formula: C6H6
- Molecular weight: 78.1118
- IUPAC Standard InChI: InChI=1S/C6H6/c1-3-5-6-4-2/h3-4H,1-2H2
- IUPAC Standard InChIKey: AUBDSFLQOBEOPX-UHFFFAOYSA-N
- CAS Registry Number: 821-08-9
- 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: Divinylacetylene; CH2=CHC≡CCH=CH2; 1,5-Hexadiene-3-yne
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 357.9 | K | N/A | Lespieau and Guillemonat, 1932 | Uncertainty assigned by TRC = 1.5 K; TRC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 40.4 | 238. | A | Stephenson and Malanowski, 1987 | Based on data from 223. to 357. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 228.1 to 357. | 4.25065 | 1357.643 | -37.484 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lespieau and Guillemonat, 1932
Lespieau, R.; Guillemonat, A.,
C. R. Hebd. Seances Acad. Sci., 1932, 195, 245. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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