Propargyl alcohol
- Formula: C3H4O
- Molecular weight: 56.0633
- IUPAC Standard InChIKey: TVDSBUOJIPERQY-UHFFFAOYSA-N
- CAS Registry Number: 107-19-7
- 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: 2-Propyn-1-ol; Ethynyl carbinol; Propynyl alcohol; 1-Hydroxy-2-propyne; 1-Propyn-3-ol; 2-Propynol; 2-Propynyl alcohol; 3-Hydroxy-1-propyne; 1-Propyne-3-ol; 3-Propynol; prop-2-yn-1-ol; Methanol, ethynyl-; Rcra waste number P102; HC≡CCH2OH; 1-Propyn-3-yl alcohol; NSC 8804; 2-propyn-1-ol (propargyl alcohol)
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Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
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 | 387. to 388. | K | N/A | Farchan Laboratories, 1990 | BS |
Tboil | 386.8 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 386.75 | K | N/A | Henne and Greenlee, 1945 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 385. | K | N/A | Bruhl, 1880 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 221.35 | K | N/A | Henne and Greenlee, 1945 | Uncertainty assigned by TRC = 0.3 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.0 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. to 387. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change 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 as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C3H4O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.5 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.51 | PE | Koppel, Molder, et al., 1983 | LBLHLM |
10.5 | PE | Von Niessen, Bieri, et al., 1980 | LLK |
10.45 | PE | Andreocci, Bitchev, et al., 1979 | Vertical value; LLK |
References
Go To: Top, Phase change 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.
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]
Henne and Greenlee, 1945
Henne, A.L.; Greenlee, K.W.,
Preparation and Physical Constants of Acetylenic Compounds,
J. Am. Chem. Soc., 1945, 67, 484-5. [all data]
Bruhl, 1880
Bruhl, J.W.,
The Chemical Constitution of Organic Compounds in Relation to Their Density and Their Light Propagating Ability,
Justus Liebigs Ann. Chem., 1880, 200, 139-231. [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]
Koppel, Molder, et al., 1983
Koppel, I.A.; Molder, U.H.; Pikver, R.J.,
Photoelectron spectra of molecules. I. Alcohols,
Org. React. Tartu, 1983, 20, 45. [all data]
Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O),
J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]
Andreocci, Bitchev, et al., 1979
Andreocci, M.V.; Bitchev, P.; Carusi, P.; Furlani, A.,
Valence shell photoionization spectra of some substituted hydroxy-acetylenes. A tentative correlation with their cyclotrimerization reactions,
J. Electron Spectrosc. Relat. Phenom., 1979, 16, 25. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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