2-Oxetanone, 4-methylene-

Formula: C₄H₄O₂
Molecular weight: 84.0734
IUPAC Standard InChI: InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2
IUPAC Standard InChIKey: WASQWSOJHCZDFK-UHFFFAOYSA-N
CAS Registry Number: 674-82-8
Chemical structure:
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Other names: Diketene; Ethenone, dimer; Ketene dimer; 3-Butenoic acid, 3-hydroxy-, β-lactone; 4-Methylene-2-oxetanone; Diketen; Vinylaceto-β-lactone; but-3-en-3-olide
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Gas phase thermochemistry data

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Data compiled as indicated in comments:
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
Δ_fH°_gas	-45.47 ± 0.13	kcal/mol	Ccr	Mansson, Nakase, et al., 1968	ALS

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
8.669	50.	Thermodynamics Research Center, 1997	p=1 bar. Selected entropy and heat capacity at 298.15 K are in close agreement with statistical values calculated by [ Joshi R.M., 1970]. However entropy values at 600 and 1000 K obtained by [ Joshi R.M., 1970] are about 27 J/mol*K lower than selected ones. Estimations by difference method [ Dorofeeva O.V., 1997] give preference for data [ Thermodynamics Research Center, 1997].; GT
10.16	100.
12.17	150.
14.66	200.
18.75	273.15
20.17	298.15
20.28	300.
25.657	400.
30.194	500.
33.870	600.
36.857	700.
39.314	800.
41.362	900.
43.086	1000.
44.55	1100.
45.79	1200.
46.85	1300.
47.78	1400.
48.57	1500.

References

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Mansson, Nakase, et al., 1968
Mansson, M.; Nakase, Y.; Sunner, S., The enthalpies of combustion and formation of diketene, Acta Chem. Scand., 1968, 22, 171-174. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [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]

Dorofeeva O.V., 1997
Dorofeeva O.V., Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]

Notes

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Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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C_p,gas	Constant pressure heat capacity of gas
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions