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1,3-Dioxolane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-301.7 ± 2.2kJ/molCcbPihlaja and Heikklia, 1969ALS
Quantity Value Units Method Reference Comment
gas310.5 ± 4.1J/mol*KN/AClegg G.A., 1969This calorimetric value of S(298.15 K) is 10.8 J/mol*K larger than that obtained by statistical calculation [ Dorofeeva O.V., 1992]. However, statistical value agrees well with estimation by difference method [ Dorofeeva O.V., 1992].; GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
38.1450.Dorofeeva O.V., 1992p=1 bar.; GT
40.67100.
44.54150.
50.90200.
65.20273.15
71.0 ± 4.0298.15
71.45300.
95.78400.
118.09500.
136.88600.
152.49700.
165.51800.
176.46900.
185.731000.
193.621100.
200.351200.
206.111300.
211.071400.
215.351500.

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-337.2 ± 1.4kJ/molCcbPihlaja and Heikklia, 1969ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1700.8 ± 1.4kJ/molCcbPihlaja and Heikklia, 1969Corresponding «DELTA»fliquid = -337.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1700.kJ/molCcbFletcher, Mortimer, et al., 1959Corresponding «DELTA»fliquid = -338. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1705.kJ/molCcbSkuratov, Strepikheev, et al., 1957Combustion for liq at 293 K; Corresponding «DELTA»fliquid = -333. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid280.2J/mol*KN/AClegg and Melia, 1969DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
120.84298.15Inglese, Castagnolo, et al., 1981DH
118.0298.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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
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
Tboil347.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil348.75KN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Tfus175.85KN/AAnonymous, 1968TRC
Tfus175.9KN/AAnonymous, 1955Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple175.93KN/AClegg and Melia, 1969Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap35.5kJ/molN/APihlaja and Heikklia, 1969DRB
Deltavap36. ± 0.4kJ/molVFletcher, Mortimer, et al., 1959ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
34.6326.AWu and Sandler, 1989Based on data from 305. - 347. K.; AC
35.8295.AStephenson and Malanowski, 1987Based on data from 280. - 323. K.; AC
33.7339.N/ACastellari, Francesconi, et al., 1982Based on data from 321. - 357. K.; AC
33.7326.N/AFrancesconi, Castellari, et al., 1980Based on data from 306. - 346. K.; AC
34.1296.N/ACherkasskaya, Tur, et al., 1968Based on data from 280. - 355. K. See also Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
280.9 - 355.34.118591237.377-48.735Cherkaskaya, Petrenkova, et al., 1968Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.57175.9Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
18.8142.4Domalski and Hearing, 1996CAL
37.33175.9

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.677142.4crystaline, IIcrystaline, IClegg and Melia, 1969DH
6.567175.93crystaline, IliquidClegg and Melia, 1969DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
18.8142.4crystaline, IIcrystaline, IClegg and Melia, 1969DH
37.3175.93crystaline, IliquidClegg and Melia, 1969DH

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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

View image of digitized spectrum (can be printed in landscape orientation).

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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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-4402
NIST MS number 230380

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, 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.

Pihlaja and Heikklia, 1969
Pihlaja, K.; Heikklia, J., Enthalpies of formation of cyclic acetals. 1,3-dioxolane, 2-methyl-1,3-dioxolane, and 2,4-dimethyl-1,3-dioxolanes, Acta Chem. Scand., 1969, 23, 1053-1055. [all data]

Clegg G.A., 1969
Clegg G.A., Thermodynamics of polymerization of heterocyclic compounds. Part V. The heat capacity, entropy, enthalpy and free energy of 1,3-dioxolan and poly-1,3-dioxolan, Polymer, 1969, 10, 912-922. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 1. Three-membered, four-membered and five-membered rings, Thermochim. Acta, 1992, 194, 9-46. [all data]

Fletcher, Mortimer, et al., 1959
Fletcher, S.E.; Mortimer, C.T.; Springall, H.D., Heats of combustion and molecular structure. Part VII. 1:3-dioxa- and 1:3:5-trioxa-cycloalkanes, J. Chem. Soc., 1959, 580-584. [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]

Clegg and Melia, 1969
Clegg, G.A.; Melia, T.P., Thermodynamics of polymerization of heterocyclic compounds. Part V. The heat capacity, entropy, enthalpy and free energy of 1,3-dioxolan and poly-1,3-dioxolan, Polymer, 1969, 10(12), 912-922. [all data]

Inglese, Castagnolo, et al., 1981
Inglese, A.; Castagnolo, M.; Dell'Atti, A.; DeGiglio, A., Thermochim. Acta, 1981, 77-87. [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]

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

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

Anonymous, 1955
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 14, No. 1, Ohio State Univ., 1955. [all data]

Wu and Sandler, 1989
Wu, Huey S.; Sandler, Stanley I., Vapor-liquid equilibrium of 1,3-dioxolane systems, J. Chem. Eng. Data, 1989, 34, 2, 209-213, https://doi.org/10.1021/je00056a019 . [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]

Castellari, Francesconi, et al., 1982
Castellari, Carlo; Francesconi, Romolo; Comelli, Fabio, Vapor-liquid equilibriums in binary systems containing 1,3-dioxolane at isobaric conditions. 3. Binary mixtures of 1,3-dioxolane with o-, m-, and p-xylenes, J. Chem. Eng. Data, 1982, 27, 2, 156-158, https://doi.org/10.1021/je00028a017 . [all data]

Francesconi, Castellari, et al., 1980
Francesconi, Romolo; Castellari, Carlo; Arcelli, Antonio; Comelli, Fabio, Vapor-liquid equilibrium in mixtures of 1,3 dioxolane-water, Can. J. Chem. Eng., 1980, 58, 1, 113-121, https://doi.org/10.1002/cjce.5450580116 . [all data]

Cherkasskaya, Tur, et al., 1968
Cherkasskaya, E.L.; Tur, A.M.; Petrenkova, Z.F.; Lyubomilov, V.I., Zh. Prikl. Khim., 1968, 41, 11, 2553. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Cherkaskaya, Petrenkova, et al., 1968
Cherkaskaya, E.L.; Petrenkova, Z.E.; Tur, A.M.; Lubinova, V.I., Phase Equilibrium of Liquid-Steam in System of Dioxolane-Water, Zh. Prikl. Khim. (Leningrad), 1968, 41, 2553-2554. [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, IR Spectrum, Mass spectrum (electron ionization), References