Propiolactone
- Formula: C3H4O2
- Molecular weight: 72.0627
- IUPAC Standard InChIKey: VEZXCJBBBCKRPI-UHFFFAOYSA-N
- CAS Registry Number: 57-57-8
- 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: β-Propiolactone; 2-Oxetanone; β-Propanoic acid lactone; β-Propionolactone; Betaprone; BPL; Hydracrylic acid β-lactone; Propanoic acid, 3-hydroxy-, β-lactone; Propanolide; 1,3-Propiolactone; 3-Hydroxypropionic acid, lactone; 3-Propanolide; 3-Propiolactone; 2-Oxacyclobutanone; β-lactone hydracrylic acid; 2-Oxooxetane; β-Proprolactone; Propiolactone β-; Propionic acid, 3-hydroxy-, β-lactone; β-Propriolactone; β-Propiolakton; 3-Hydroxypropionic acid β-lactone; NSC-21626; Oxetan-2-one; Propionolactone; Beta-propiolactone
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
DRB - Donald R. Burgess, Jr.
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 | -286.2 | kJ/mol | N/A | Dmitriev, Kotovich, et al., 1988 | Value computed using ΔfHliquid° value of -333.2±1.2 kj/mol from Dmitriev, Kotovich, et al., 1988 and ΔvapH° value of 47.0 kj/mol from Borjesson, Nakase, et al., 1966.; DRB |
ΔfH°gas | -282.9 | kJ/mol | N/A | Yevstroprov, Lebedev, et al., 1979 | Value computed using ΔfHliquid° value of -329.9±0.8 kj/mol from Yevstroprov, Lebedev, et al., 1979 and ΔvapH° value of 47.0 kj/mol from Borjesson, Nakase, et al., 1966.; DRB |
ΔfH°gas | -282.9 ± 0.84 | kJ/mol | Ccr | Borjesson, Nakase, et al., 1966 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.83 | 100. | Kudchadker S.A., 1975 | Selected values are in close agreement with results of statistical calculation by [ Joshi R.M., 1970].; GT |
44.84 | 150. | ||
52.42 | 200. | ||
66.15 | 273.15 | ||
71.24 | 298.15 | ||
71.62 | 300. | ||
91.57 | 400. | ||
108.86 | 500. | ||
123.02 | 600. | ||
134.58 | 700. | ||
144.13 | 800. | ||
152.11 | 900. | ||
158.83 | 1000. | ||
164.54 | 1100. | ||
169.40 | 1200. | ||
173.56 | 1300. | ||
177.14 | 1400. | ||
180.23 | 1500. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.70 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 19145 |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dmitriev, Kotovich, et al., 1988
Dmitriev, Yu.G.; Kotovich, K.Z.; Kochubei, V.V.; Mineravina, L.O.,
Heats of combustion of alkyl derivatives of β-propiolactones,
Vestn. L'vov. Politekhn. Inst., 1988, 221, 34-35. [all data]
Borjesson, Nakase, et al., 1966
Borjesson, B.; Nakase, Y.; Sunner, S.,
The heat of combustion and polymerization of β-propiolactone,
Acta Chem. Scand., 1966, 20, 803-810. [all data]
Yevstroprov, Lebedev, et al., 1979
Yevstroprov, A.A.; Lebedev, B.V.; Kulagina, T.G.; Lyudvig, Ye.B.; Belenkaya, B.G.,
The thermodynamic proerties of β-propiolactone, its polymer, and its polymerization in the 0-400°K range,
Polym. Sci. USSR, 1979, 21, 2249-2256. [all data]
Kudchadker S.A., 1975
Kudchadker S.A.,
Thermodynamic properties of oxygen compounds. II. beta-Propiolactone, gamma-butyrolactone, and gamma-butyrolactam (2-pyrrolidone),
Thermochim. Acta, 1975, 12, 11-17. [all data]
Joshi R.M., 1970
Joshi R.M.,
Thermodynamic properties of some monomeric compounds in the standard ideal gas state,
J. Polym. Sci., Part A-2, 1970, 8, 679-687. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.