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Propiolactone

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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 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
Deltafgas-68.40kcal/molN/ADmitriev, Kotovich, et al., 1988Value computed using «DELTA»fHliquid° value of -333.2±1.2 kj/mol from Dmitriev, Kotovich, et al., 1988 and «DELTA»vapH° value of 47.0 kj/mol from Borjesson, Nakase, et al., 1966.; DRB
Deltafgas-67.61kcal/molN/AYevstroprov, Lebedev, et al., 1979Value computed using «DELTA»fHliquid° value of -329.9±0.8 kj/mol from Yevstroprov, Lebedev, et al., 1979 and «DELTA»vapH° value of 47.0 kj/mol from Borjesson, Nakase, et al., 1966.; DRB
Deltafgas-67.61 ± 0.20kcal/molCcrBorjesson, Nakase, et al., 1966ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.281100.Kudchadker S.A., 1975Selected values are in close agreement with results of statistical calculation by [ Joshi R.M., 1970].; GT
10.72150.
12.53200.
15.81273.15
17.03298.15
17.12300.
21.89400.
26.018500.
29.402600.
32.165700.
34.448800.
36.355900.
37.9611000.
39.3261100.
40.4881200.
41.4821300.
42.3371400.
43.0761500.

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
Deltafliquid-79.64 ± 0.29kcal/molCcbDmitriev, Kotovich, et al., 1988ALS
Deltafliquid-78.8 ± 0.2kcal/molCmYevstroprov, Lebedev, et al., 1979Hfusion=9.41±0.01 kJ/mol at 239.86 K; ALS
Deltafliquid-78.85 ± 0.20kcal/molCcrBorjesson, Nakase, et al., 1966ALS
Quantity Value Units Method Reference Comment
Deltacliquid-339.15 ± 0.29kcal/molCcbDmitriev, Kotovich, et al., 1988Corresponding «DELTA»fliquid = -79.64 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-339.93 ± 0.20kcal/molCcrBorjesson, Nakase, et al., 1966Corresponding «DELTA»fliquid = -78.85 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid41.90cal/mol*KN/ALebedev and Yevstropov, 1983DH
liquid41.92cal/mol*KN/AEvstropov, Lebedev, et al., 1979DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
29.18298.15Lebedev and Yevstropov, 1983T = 13.8 to 340 K.; DH
29.21298.15Evstropov, Lebedev, et al., 1979T = 5 to 400 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil435.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Ttriple239.86KN/ALebedev and Yevstropov, 1983, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple239.86KN/AEvstropov, Lebedev, et al., 1979Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Deltavap11.24 ± 0.01kcal/molCBorjesson, Nakase, et al., 1966ALS
Deltavap11.2kcal/molN/ABorjesson, Nakase, et al., 1966DRB
Deltavap11.2 ± 0.02kcal/molCBorjesson, Nakase, et al., 1966AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
11.1339.AStephenson and Malanowski, 1987Based on data from 324. - 435. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.249239.86Lebedev and Yevstropov, 1983DH
2.249239.86Evstropov, Lebedev, et al., 1979DH
2.25239.9Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
9.376239.86Lebedev and Yevstropov, 1983DH
9.376239.86Evstropov, Lebedev, et al., 1979DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Propiolactone = C3H4O2

By formula: C3H4O2 = C3H4O2

Quantity Value Units Method Reference Comment
Deltar17.9 ± 0.91kcal/molCmYevstroprov, Lebedev, et al., 1979liquid phase; Hfusion=9.41±0.01 kJ/mol at 239.86 K

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 05634
Date 1951/10/19
Name(s) 2-oxetanone
State SOLUTION (10% CCl4 FOR 2-7.6, SATURATED-LESS THAN 10% -NaCl ADDED CS2 FOR 7.4-16)
Instrument BAIRD (PRISM)
Instrument parameters NaCl PRISM
Path length 0.0114 CM, 0.0112 CM
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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

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Mass spectrum
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Additional Data

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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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 «beta»-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 «beta»-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 «beta»-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]

Lebedev and Yevstropov, 1983
Lebedev, B.V.; Yevstropov, A.A., Thermodynamics of «beta»-propiolactone, t-butyrolactone, d-valerolactone, and e-caprolactone from 13.8 to 340 K, J. Chem. Thermodynam., 1983, 15, 115-128. [all data]

Evstropov, Lebedev, et al., 1979
Evstropov, A.A.; Lebedev, B.V.; Kulagina, T.G.; Lyudvig, E.B., and Belen'kaya, B.G. Thermodynamic parameters of «beta»-propiolactone, poly-«beta»-propiolactone, and «beta»-propiolactone polymerization at 0 to 400 K, Vysokomol. Soedin., Ser., 1979, A 21(9), 2038-2044. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Lebedev and Yevstropov, 1983, 2
Lebedev, B.V.; Yevstropov, A.A. (see evstro aa), Thermodynamics of «beta»-propiolactone, «gamma»-butyrolactone, «delta»- valerolactone, and «epsilon»-caprolactone from 13.8 to 340 K, J. Chem. Thermodyn., 1983, 15, 115. [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References