1,4-Dioxane-2,5-dione

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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

Quantity Value Units Method Reference Comment
Δfgas-147.1kcal/molN/ALebedev, Kulagina, et al., 1988Value computed using ΔfHsolid° value of -704.0±0.6 kj/mol from Lebedev, Kulagina, et al., 1988 and ΔsubH° value of 88.4 kj/mol from Kiparisova, Bykova, et al., 1977.; DRB
Δfgas-146.3 ± 0.33kcal/molCcbKiparisova, Bykova, et al., 1977ALS
Δfgas-146.2kcal/molN/ALebedev, Evstropov, et al., 1977Value computed using ΔfHsolid° value of -700.3±0.6 kj/mol from Lebedev, Evstropov, et al., 1977 and ΔsubH° value of 88.4 kj/mol from Kiparisova, Bykova, et al., 1977.; DRB

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
Δfsolid-168.3 ± 0.1kcal/molCcbLebedev, Kulagina, et al., 1988see Lebedev, Yevstropov, et al., 1978 and Evstropov, Belov, et al., 1978; ALS
Δfsolid-167.4 ± 0.14kcal/molCcbKiparisova, Bykova, et al., 1977crystal phase; ALS
Δfsolid-167.4 ± 0.1kcal/molCcbLebedev, Evstropov, et al., 1977ALS
Quantity Value Units Method Reference Comment
Δcsolid-344.6 ± 0.1kcal/molCcbLebedev, Kulagina, et al., 1988see Lebedev, Yevstropov, et al., 1978 and Evstropov, Belov, et al., 1978; Corresponding Δfsolid = -168.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-345.46 ± 0.14kcal/molCcbKiparisova, Bykova, et al., 1977crystal phase; Corresponding Δfsolid = -167.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-345.5 ± 0.1kcal/molCcbLebedev, Evstropov, et al., 1977Corresponding Δfsolid = -167.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar37.579cal/mol*KN/ALebedev, Kulagina, et al., 1988crystaline, II phase; DH
solid,1 bar37.57cal/mol*KN/ALebedev, Yevstropov, et al., 1978, 2crystaline, II phase; DH
solid,1 bar37.57cal/mol*KN/ALebedev, Evstropov, et al., 1977, 2crystaline, II phase; DH
solid,1 bar37.57cal/mol*KN/AEvstropov, Belov, et al., 1978, 2crystaline, II phase; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
31.855298.15Lebedev, Kulagina, et al., 1988crystaline, II phase; T = 13.8 to 400 K.; DH
31.84298.15Evstropov, Belov, et al., 1978, 2crystaline, II phase; T = 14 to 350 K. Complete data deposited in VINITI, No. 2144-77, 2 June 1977.; DH
31.86298.15Lebedev, Yevstropov, et al., 1978, 2crystaline, II phase; T = 13.8 to 550 K.; DH
31.86298.15Lebedev, Evstropov, et al., 1977, 2crystaline, II phase; T = 13.8 to 550 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple356.2KN/ALebedev, Kulagina, et al., 1988, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple356.2KN/AEvstropov, Belov, et al., 1978, 3Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δsub21.1 ± 0.2kcal/molCKiparisova, Bykova, et al., 1977crystal phase; ALS
Δsub21.1kcal/molN/AKiparisova, Bykova, et al., 1977DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.0391.AStephenson and Malanowski, 1987Based on data from 376. to 513. K. See also Stull, 1947.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
376. to 513.5.153512383.101-51.139Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
3.54356.2ACDomalski and Hearing, 1996See also Lebedev, Kulagina, et al., 1988.; AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
1.39312.1Domalski and Hearing, 1996CAL
9.931356.2

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.43977312.1crystaline, IIcrystaline, ILebedev, Kulagina, et al., 1988DH
3.5373356.2crystaline, IliquidLebedev, Kulagina, et al., 1988DH
0.4326312.1crystaline, IIcrystaline, ILebedev, Yevstropov, et al., 1978, 2DH
3.5373356.2crystaline, IliquidLebedev, Yevstropov, et al., 1978, 2DH
0.4398312.1crystaline, IIcrystaline, ILebedev, Evstropov, et al., 1977, 2DH
3.5373356.2crystaline, IliquidLebedev, Evstropov, et al., 1977, 2DH
0.4326312.1crystaline, IIcrystaline, IEvstropov, Belov, et al., 1978, 2DH
3.5373356.2crystaline, IliquidEvstropov, Belov, et al., 1978, 2DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.41312.1crystaline, IIcrystaline, ILebedev, Kulagina, et al., 1988DH
9.916356.2crystaline, IliquidLebedev, Kulagina, et al., 1988DH
1.39312.1crystaline, IIcrystaline, ILebedev, Yevstropov, et al., 1978, 2DH
9.92356.2crystaline, IliquidLebedev, Yevstropov, et al., 1978, 2DH
1.41312.1crystaline, IIcrystaline, ILebedev, Evstropov, et al., 1977, 2DH
9.92356.2crystaline, IliquidLebedev, Evstropov, et al., 1977, 2DH
1.39312.1crystaline, IIcrystaline, IEvstropov, Belov, et al., 1978, 2DH
9.92356.2crystaline, IliquidEvstropov, Belov, et al., 1978, 2DH

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:


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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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Mass spectrum
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Additional Data

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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

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

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
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]

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]

Lebedev, Kulagina, et al., 1988, 2
Lebedev, B.V.; Kulagina, T.G.; Smirnova, N.N., Thermodynamics of 4-methylcyclohexene, glycollide, and 1,1,3,3,5,5-hexaethylcyclotrisiloxane from 13.4 to 400 K, J. Chem. Thermodyn., 1988, 20, 1383. [all data]

Evstropov, Belov, et al., 1978, 3
Evstropov, A.A.; Belov, V.I.; Lebedev, B.V.; Kiparisova, E.G., Zh. Fiz. Khim., 1978, 52, 243. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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, Mass spectrum (electron ionization), References