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1,3-Dioxolan-2-one

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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-503.0 ± 4.2kJ/molCcbChoi and Joncich, 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -604.30 kJ/mol; Pedley's value is off by 24.20kcal/mol; ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
81.6298.15Vasilev I.A., 1984GT
82.0300.
104.9400.
124.5500.
140.5600.
153.5700.
164.1800.
173.0900.
180.41000.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-682.8 ± 2.1kJ/molCcbChoi and Joncich, 1971Pedley's value is off by 24.20kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1069.3 ± 2.1kJ/molCcbChoi and Joncich, 1971Pedley's value is off by 24.20kcal/mol; Corresponding «DELTA»fliquid = -682.83 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
Deltafsolid-590.9kJ/molCcbVogdanis, Martens, et al., 1990ALS
Deltafsolid-586.3 ± 3.8kJ/molCcbCalhoun, 1983ALS
Deltafsolid-581.6 ± 0.4kJ/molCcbVasil'eva, Zhil'tosova, et al., 1972ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1161.4kJ/molCcbVogdanis, Martens, et al., 1990Corresponding «DELTA»fsolid = -590.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-1165.9 ± 3.7kJ/molCcbCalhoun, 1983Corresponding «DELTA»fsolid = -586.32 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-1170.6 ± 0.4kJ/molCcbVasil'eva, Zhil'tosova, et al., 1972Corresponding «DELTA»fsolid = -581.58 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-1171.317kJ/molCcbSilvestro and Lenchitz, 1961Corresponding «DELTA»fsolid = -580.8727 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar132.54J/mol*KN/AVasil'ev and Korkhov, 1974DH
solid,1 bar132.54J/mol*KN/AVasil'ev and Korkhov, 1973Extrapolation below 52 K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
133.9323.15Peppel, 1958DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
117.44298.15Vasil'ev and Korkhov, 1974T = 52 to 340 K. Cp(liq) = 88.977 + 0.1586T J/mol*K (309 to 340 K).; DH
117.44298.15Vasil'ev and Korkhov, 1973T = 52 to 310 K. Full data deposited in VINITI, No. 326-73, 21 June 1973.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics 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:
BS - Robert L. Brown and Stephen E. Stein
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.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus310. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple309.47KN/AMarsh, 1987Uncertainty assigned by TRC = 0.004 K; recommended as calibration standard; TRC
Ttriple309.49KN/AVasil'ev and Korkhov, 1973Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap80. ± 80.kJ/molAVGN/AAverage of 6 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
516.70.987Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
59.6396.AStephenson and Malanowski, 1987Based on data from 381. - 437. K.; AC
60.3383.EBHong, Wakslak, et al., 1982Based on data from 368. - 449. K.; AC
56.3423.EBHong, Wakslak, et al., 1982Based on data from 368. - 449. K.; AC
55.0433.EBHong, Wakslak, et al., 1982Based on data from 368. - 433. K.; AC
56.484423.VPeppel, 1958ALS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
68.7285.AStephenson and Malanowski, 1987Based on data from 273. - 297. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
13.295309.49N/AVasil'ev and Korkhov, 1974DH
13.295309.49N/AVasil'ev and Korkhov, 1973DH
13.02311.2DSCDing, 2004AC
13.3309.5N/AVasil'ev and Korkhov, 1973AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
42.96309.49Vasil'ev and Korkhov, 1974DH
42.96309.49Vasil'ev and Korkhov, 1973DH

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:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
Proton affinity (review)814.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity784.4kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.40PEMcGlynn and Meeks, 1976LLK
10.40PEMeeks, Arnett, et al., 1975LLK
10.70PEYokoyama, Jinno, et al., 1974LLK
11.1PEWittel, Astrup, et al., 1975Vertical value; LLK
11.47PEBain and Frost, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4O+[c-C2H4O+]11.34 ± 0.05CH2O2EIBuschek, Holmes, et al., 1987LBLHLM

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

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

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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-4916
NIST MS number 229208

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, Gas phase ion energetics 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.

Choi and Joncich, 1971
Choi, J.K.; Joncich, M.J., Heats of combustion, heats of formation and vapor pressures of some organic carbonates. Estimation of carbonate group contribution to heat of formation, J. Chem. Eng. Data, 1971, 16, 87-90. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Vasilev I.A., 1984
Vasilev I.A., Thermodynamic Properties of Oxygen-Containing Organic Compounds. Khimiya, Leningrad, 1984. [all data]

Vogdanis, Martens, et al., 1990
Vogdanis, L.; Martens, B.; Uchtmann, H.; Hensel, F.; Heitz, W., Synthetic and thermodynamic investigations in the polymerization of ethylene carbonate, Makromol. Chem., 1990, 191, 456-472. [all data]

Calhoun, 1983
Calhoun, W.L., Enthalpies of combustion and formation of ethylene carbonate, J. Chem. Eng. Data, 1983, 28, 146-148. [all data]

Vasil'eva, Zhil'tosova, et al., 1972
Vasil'eva, T.F.; Zhil'tosova, E.N.; Vvedenski, A.A., Enthalpies of combustion of alkylene carbonates, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 316. [all data]

Silvestro and Lenchitz, 1961
Silvestro, G.; Lenchitz, C., Heat of combustion of ethylene carbonate, J. Phys. Chem., 1961, 65, 694-695. [all data]

Vasil'ev and Korkhov, 1974
Vasil'ev, I.A.; Korkhov, A.D., Thermodynamic properties of alkylene carbonates at low temperatures, Tr. Khim. Khim. Tekhnol., Gor'kii, 1974, 36, 103-105. [all data]

Vasil'ev and Korkhov, 1973
Vasil'ev, I.A.; Korkhov, A.D., The heat capacities and enthalpies of fusion and the thermodynamic properties of solid and liquid ethylene carbonate, Zhur. Fiz. Khim., 1973, 47, 2710. [all data]

Peppel, 1958
Peppel, W.J., Preparation and properties of the alkylene carbonates, Ind. Eng. Chem., 1958, 50, 767-770. [all data]

Marsh, 1987
Marsh, K.N., Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Sci. Pub., Oxford, 1987. [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]

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]

Hong, Wakslak, et al., 1982
Hong, C.S.; Wakslak, R.; Finston, H.; Fried, V., Some thermodynamic properties of systems containing propylene carbonate and ethylene carbonate, J. Chem. Eng. Data, 1982, 27, 2, 146-148, https://doi.org/10.1021/je00028a012 . [all data]

Ding, 2004
Ding, Michael S., Liquid-Solid Phase Equilibria and Thermodynamic Modeling for Binary Organic Carbonates, J. Chem. Eng. Data, 2004, 49, 2, 276-282, https://doi.org/10.1021/je034134e . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

McGlynn and Meeks, 1976
McGlynn, S.P.; Meeks, J.L., Photoelectron spectra of carbonyls, carbonates, oxalates and esterification effects, J. Electron Spectrosc. Relat. Phenom., 1976, 8, 85. [all data]

Meeks, Arnett, et al., 1975
Meeks, J.L.; Arnett, J.F.; Larson, D.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls. Ionization assignments, Chem. Phys. Lett., 1975, 30, 190. [all data]

Yokoyama, Jinno, et al., 1974
Yokoyama, Y.; Jinno, M.; Watanabe, I.; Ikeda, S., Identification of accidentally degenerate bands in UV photoelectron spectra of ethylene carbonate and propylene carbonate, J. Electron Spectrosc. Relat. Phenom., 1974, 5, 1095. [all data]

Wittel, Astrup, et al., 1975
Wittel, K.; Astrup, E.E.; Bock, H.; Graeffe, G.; Juslen, H., Photoelectron spectra and molecular properties, XLVIII Carbonates thio- carbonates, Z. Naturforsch. B:, 1975, 30, 862. [all data]

Bain and Frost, 1973
Bain, A.D.; Frost, D.C., Studies of the carbonyl group in some five-membered ring compounds by photoelectron spectroscopy, Can. J. Chem., 1973, 51, 1245. [all data]

Buschek, Holmes, et al., 1987
Buschek, J.M.; Holmes, J.L.; Terlouw, J.K., CH3OCH+, a new stable C2H4O+ isomer, and a reassessment of the oxirane+ potential surface, J. Am. Chem. Soc., 1987, 109, 7321. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References