2-Oxetanone, 3,3-dimethyl-
- Formula: C5H8O2
- Molecular weight: 100.1158
- IUPAC Standard InChI: InChI=1S/C5H8O2/c1-5(2)3-7-4(5)6/h3H2,1-2H3
- IUPAC Standard InChIKey: ULKFLOVGORAZDI-UHFFFAOYSA-N
- CAS Registry Number: 1955-45-9
- 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: α,α-Dimethyl-β-propiolactone; α,α-Dimethylpropiolactone; Pivalic acid lactone; Pivalolactone; Propanoic acid, 3-hydroxy-2,2-dimethyl-, β-lactone; 3,3-Dimethyl-β-propiolactone; 3,3-Dimethyl-2-oxetanone; NCI-C04126; Hydracrylic acid, 2,2-dimethyl-, β-lactone; Pivalic acid, hydroxy-, lactone
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -352.7 | kJ/mol | Ccr | Hall, 1969 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -395.1 | kJ/mol | Ccr | Hall, 1969 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2716.7 | kJ/mol | Ccr | Hall, 1969 | Corresponding ΔfHºliquid = -394.2 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 42.43 | kJ/mol | V | Hall, 1969 | ALS |
| ΔvapH° | 42.4 | kJ/mol | N/A | Hall, 1969 | DRB |
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.
Hall, 1969
Hall, H.K., Jr.,
The nucleophile-initiated polymerization of α,α-disubstituted β-lactones,
Macromolecules, 1969, 2, 488-496. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion 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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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