3-Penten-2-one, 4-hydroxy-
- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChI: InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6H,1-2H3/b4-3-
- IUPAC Standard InChIKey: POILWHVDKZOXJZ-ARJAWSKDSA-N
- CAS Registry Number: 1522-20-9
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -385.3 ± 2.0 | kJ/mol | Cm | Melia and Merrifield, 1969 | Thermochemical cycle |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -426.3 ± 2.0 | kJ/mol | Cm | Melia and Merrifield, 1969 | Thermochemical cycle; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 261.4 | J/mol*K | N/A | Melia and Merrifield, 1969 | Extrapolated below 90 K. S(298.15 K) given as 2.611 J/g*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 208.2 | 298.15 | Melia and Merrifield, 1969 | T = 80 to 300 K. Csat(liq) = 0.8978 + 3.964x10-3T J/g*K (260 to 300 K); Csat(298.15 K) given as 2.080 J/g*K.; DH |
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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 14.497 | 254.8 | Melia and Merrifield, 1969 | DH |
| 14.5 | 254.8 | Melia and Merrifield, 2007 | AC |
Entropy of fusion
| ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 56.90 | 254.8 | Melia and Merrifield, 1969 | DH |
Gas phase ion energetics 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.08 ± 0.01 | PE | Hush, Livett, et al., 1987 | Vertical value |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Melia and Merrifield, 1969
Melia, T.P.; Merrifield, R.,
Thermal properties of acetylacetone,
J. Appl. Chem., 1969, 19, 79-82. [all data]
Melia and Merrifield, 2007
Melia, T.P.; Merrifield, R.,
Thermal properties of acetylacetone,
J. Appl. Chem., 2007, 19, 3, 79-82, https://doi.org/10.1002/jctb.5010190305
. [all data]
Hush, Livett, et al., 1987
Hush, N.S.; Livett, M.K.; Peel, J.B.; Willett, G.D.,
Variable-temperature ultraviolet photoelectron spectroscopy of the keto-enol tautomers of pentane-2,4-dione,
Aust. J. Chem., 1987, 40, 599. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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