2-Octynoic acid, methyl ester
- Formula: C9H14O2
- Molecular weight: 154.2063
- IUPAC Standard InChI: InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3
- IUPAC Standard InChIKey: FRLZQXRXIKQFNS-UHFFFAOYSA-N
- CAS Registry Number: 111-12-6
- 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: Folione; Methyl hept-1-yne-1-carboxylate; Methyl 2-octynate; Methyl 2-octynoate; Methyl heptyne carbonate; Methyl heptine carbonate; Vert de violette, artificial; Methyl 2-octinate; Methyl pentylacetylenecarboxylate; NSC 72098; methyl oct-2-ynoate
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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 491.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 351. | 0.005 | Farchan Laboratories, 1990 | BS |
| 380.2 | 0.027 | Weast and Grasselli, 1989 | BS |
| 367.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 64.5 | 297. | A,ME | Stephenson and Malanowski, 1987 | Based on data from 283. to 312. K. See also Serpinskii, Voitkevich, et al., 1955.; AC |
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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [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]
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]
Serpinskii, Voitkevich, et al., 1955
Serpinskii, V.V.; Voitkevich, S.A.; Lyuboshits, N. Yu,
Zh. Fiz. Khim., 1955, 29, 653. [all data]
Notes
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- 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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