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1,3-Dioxepane

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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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
gas80.9 ± 1.1cal/mol*KN/AClegg G.A., 1970 

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.49950.Dorofeeva O.V., 1992p=1 bar.
11.56100.
15.06150.
18.71200.
24.857273.15
27.15 ± 0.84298.15
27.328300.
36.678400.
45.160500.
52.323600.
58.291700.
63.291800.
67.510900.
71.0871000.
74.1351100.
76.7401200.
78.9721300.
80.8941400.
82.5551500.

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
Deltacliquid-719.2kcal/molCcbSkuratov, Strepikheev, et al., 1957Combustion of liq at 293 K; Corresponding «DELTA»fliquid = -92.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
39.9298.Conti, Gianni, et al., 1976DH

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.8293.VSkuratov, Strepikheev, et al., 1957Combustion of liq at 293 K

Gas phase ion energetics 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.45EICollin and Conde-Caprace, 1966RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+12.28?EICollin and Conde-Caprace, 1966RDSH
C3H6O2+10.0C2H4EICollin and Conde-Caprace, 1966RDSH
C3H7+12.36?EICollin and Conde-Caprace, 1966RDSH
C4H7O+10.55CH3OEICollin and Conde-Caprace, 1966RDSH
C4H8O+10.21CH2OEICollin and Conde-Caprace, 1966RDSH
C5H9O2+10.04HEICollin and Conde-Caprace, 1966RDSH

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Clegg G.A., 1970
Clegg G.A., Thermodynamics of polymerization of heterocyclic compounds. Part 6. The heat capacity, entropy, enthalpy and free energy of 1,3-dioxepan and poly-1,3-dioxepan, Polymer, 1970, 11, 245-252. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 2. Six-membered, seven-membered and eight-membered rings, Thermochim. Acta, 1992, 200, 121-150. [all data]

Skuratov, Strepikheev, et al., 1957
Skuratov, S.M.; Strepikheev, A.A.; Shtekhter, S.M.; Volokhina, A.V., About the enthalpies of polymerization of cyclic formales, Dokl. Akad. Nauk SSSR, 1957, 117, 263-265. [all data]

Conti, Gianni, et al., 1976
Conti, G.; Gianni, P.; Matteoli, E.; Mengheri, M., Capacita termiche molari di alcuni composti organici mono- e bifunzionali nel liquido puro e in soluzione acquosa a 25C, Chim. Ind. (Milan), 1976, 58, 225. [all data]

Collin and Conde-Caprace, 1966
Collin, J.E.; Conde-Caprace, G., Ionization and dissociation of cyclic ethers by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1966, 1, 213. [all data]


Notes

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