1-Butyne, 3-methyl-
- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChI: InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3
- IUPAC Standard InChIKey: USCSRAJGJYMJFZ-UHFFFAOYSA-N
- CAS Registry Number: 598-23-2
- 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. - Species with the same structure:
- Other names: Isopentyne; Isopropyl acetylene; 2-Methyl-3-butyne; 3-Methyl-1-butyne; 3-Methylbutyne; (CH3)2CHC≡CH; 3-methylbut-1-yne
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Gas 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 136.4 ± 2.1 | kJ/mol | Ccb | Wagman, Kilpatrick, et al., 1945 | Unpublished work of E. J. Prosen; ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 35.82 | 50. | Thermodynamics Research Center, 1997 | p=1 bar.; GT |
| 50.48 | 100. | ||
| 65.17 | 150. | ||
| 79.19 | 200. | ||
| 99.36 | 273.15 | ||
| 106.09 | 298.15 | ||
| 106.59 | 300. | ||
| 131.62 | 400. | ||
| 152.87 | 500. | ||
| 170.64 | 600. | ||
| 185.71 | 700. | ||
| 198.69 | 800. | ||
| 209.96 | 900. | ||
| 219.79 | 1000. | ||
| 228.4 | 1100. | ||
| 235.8 | 1200. | ||
| 242.3 | 1300. | ||
| 248.0 | 1400. | ||
| 252.9 | 1500. |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wagman, Kilpatrick, et al., 1945
Wagman, D.D.; Kilpatrick, J.E.; Pitzer, K.S.; Rossini, F.D.,
Heats, equilibrium constants, and free energies of formation of the acetylene hydrocarbons through the pentynes, to 1,500° K,
J. Res. NBS, 1945, 35, 467-496. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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