1,4-Dioxane-2,5-dione
- Formula: C4H4O4
- Molecular weight: 116.0722
- IUPAC Standard InChIKey: RKDVKSZUMVYZHH-UHFFFAOYSA-N
- CAS Registry Number: 502-97-6
- 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: Glycollide; p-Dioxane-2,5-dione; Acetic acid, hydroxy-, bimol. cyclic ester; Glycolide
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Condensed phase thermochemistry data
Go To: Top, 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:
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°solid | -168.3 ± 0.1 | kcal/mol | Ccb | Lebedev, Kulagina, et al., 1988 | see Lebedev, Yevstropov, et al., 1978 and Evstropov, Belov, et al., 1978; ALS |
ΔfH°solid | -167.4 ± 0.14 | kcal/mol | Ccb | Kiparisova, Bykova, et al., 1977 | crystal phase; ALS |
ΔfH°solid | -167.4 ± 0.1 | kcal/mol | Ccb | Lebedev, Evstropov, et al., 1977 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -344.6 ± 0.1 | kcal/mol | Ccb | Lebedev, Kulagina, et al., 1988 | see Lebedev, Yevstropov, et al., 1978 and Evstropov, Belov, et al., 1978; Corresponding ΔfHºsolid = -168.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -345.46 ± 0.14 | kcal/mol | Ccb | Kiparisova, Bykova, et al., 1977 | crystal phase; Corresponding ΔfHºsolid = -167.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -345.5 ± 0.1 | kcal/mol | Ccb | Lebedev, Evstropov, et al., 1977 | Corresponding ΔfHºsolid = -167.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 37.579 | cal/mol*K | N/A | Lebedev, Kulagina, et al., 1988 | crystaline, II phase; DH |
S°solid,1 bar | 37.57 | cal/mol*K | N/A | Lebedev, Yevstropov, et al., 1978, 2 | crystaline, II phase; DH |
S°solid,1 bar | 37.57 | cal/mol*K | N/A | Lebedev, Evstropov, et al., 1977, 2 | crystaline, II phase; DH |
S°solid,1 bar | 37.57 | cal/mol*K | N/A | Evstropov, Belov, et al., 1978, 2 | crystaline, II phase; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
31.855 | 298.15 | Lebedev, Kulagina, et al., 1988 | crystaline, II phase; T = 13.8 to 400 K.; DH |
31.84 | 298.15 | Evstropov, Belov, et al., 1978, 2 | crystaline, II phase; T = 14 to 350 K. Complete data deposited in VINITI, No. 2144-77, 2 June 1977.; DH |
31.86 | 298.15 | Lebedev, Yevstropov, et al., 1978, 2 | crystaline, II phase; T = 13.8 to 550 K.; DH |
31.86 | 298.15 | Lebedev, Evstropov, et al., 1977, 2 | crystaline, II phase; T = 13.8 to 550 K.; DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry 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
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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 | 1992 |
References
Go To: Top, Condensed phase thermochemistry 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.
Lebedev, Kulagina, et al., 1988
Lebedev, B.V.; Kulagina, T.G.; Smirnova, N.N.,
Thermodynamics of 4-methylcyclo-hexene, glycollide, and 1,1,3,3,5,5-hexaethylcyclotrisiloxane from 13.4 to 400 K,
J. Chem. Thermodyn., 1988, 20, 1383-1396. [all data]
Lebedev, Yevstropov, et al., 1978
Lebedev, B.V.; Yevstropov, A.A.; Kiparisova, Ye.G.; Belov, V.I.,
The thermodynamics of glycollide, polyglycollide and of polymerization of glycollide in the temperature range of 0-550°K,
Polym. Sci. USSR (Engl. Transl.), 1978, 20, 32-42. [all data]
Evstropov, Belov, et al., 1978
Evstropov, A.A.; Belov, V.I.; Lebedev, B.V.; Kiparisova, E.G.; Bykova, T.A.,
Thermodynamic properties of glycolide in the temperature range 0-400 K,
Russ. J. Phys. Chem. (Engl. Transl.), 1978, 52, 136. [all data]
Kiparisova, Bykova, et al., 1977
Kiparisova, E.G.; Bykova, T.A.; Lebedev, B.V.,
Standard enthalpy of formation and combustion of glycolide and polyglycolide,
Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 106-110. [all data]
Lebedev, Evstropov, et al., 1977
Lebedev, B.V.; Evstropov, A.A.; Kiparisova, E.G.; Lyudvig, R.B.; Sanina, G.S.,
Thermodynamics of the polymerization of glycolide,
Dokl. Akad. Nauk SSSR, 1977, 236, 925-928. [all data]
Lebedev, Yevstropov, et al., 1978, 2
Lebedev, B.V.; Yevstropov, A.A.; Kiparisova, Y.G.; Belov, V.I.,
The thermodynamics of glycollide, polyglycollide and of polymerization of glycollide in the temperature range of 0-550°K,
Vysokomol. Soedin., 1978, A20, 29-37. [all data]
Lebedev, Evstropov, et al., 1977, 2
Lebedev, B.V.; Evstropov, A.A.; Milov, V.I.; Sladkov, A.M.; Vasneva, N.A.,
Thermodynamic properties of polyvinylenediphenylsilane in the range 13-334,
Zhur. Fiz. Khim., 1977, 51, 275. [all data]
Evstropov, Belov, et al., 1978, 2
Evstropov, A.A.; Belov, V.I.; Lebedev, B.V.; Kiparisova, Y.G.; Bykova, T.A.,
Thermodynamic properties of glycolide in the 0-400 K range,
Zhur. Fiz. Khim., 1978, 52, 242. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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