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Propylene Carbonate

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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:
DRB - Donald R. Burgess, Jr.
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-134.7kcal/molN/AVasil'eva, Zhil'tosova, et al., 1972Value computed using «DELTA»fHliquid° value of -613.0±1.0 kj/mol from Vasil'eva, Zhil'tosova, et al., 1972 and «DELTA»vapH° value of 49.3 kj/mol from Choi and Joncich, 1971.; DRB
Deltafgas-139.22 ± 0.59kcal/molCcbChoi and Joncich, 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -143.68 kcal/mol; Pedley's value is off by 4.46kcal/mol; ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
25.72298.15Vasilev I.A., 1984GT
25.91300.
32.53400.
38.36500.
43.19600.
47.18700.
50.48800.
53.25900.
55.571000.

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-146.6 ± 0.3kcal/molCcbVasil'eva, Zhil'tosova, et al., 1972ALS
Deltafliquid-151.01 ± 0.50kcal/molCcbChoi and Joncich, 1971Pedley's value is off by 4.46kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-434.6 ± 0.3kcal/molCcbVasil'eva, Zhil'tosova, et al., 1972Corresponding «DELTA»fliquid = -146.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-430.14 ± 0.50kcal/molCcbChoi and Joncich, 1971Pedley's value is off by 4.46kcal/mol; Corresponding «DELTA»fliquid = -151.01 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid52.25cal/mol*KN/AVasil'ev, Korkhov, et al., 1976DH
liquid52.383cal/mol*KN/AVasil'ev and Korkhov, 1974DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
41.8298.Masood, Pethrick, et al., 1976T = 200 to 325 K. Data graphically only. Value estimated from graph.; DH
40.01298.15Vasil'ev, Korkhov, et al., 1976T = 5 to 415 K.; DH
40.057298.15Vasil'ev and Korkhov, 1974T = 80 to 310 K. Cp(c) = 2.9899 + 91.0386(T/100) - 35.8262(T/100)2 + 7.2335(T/100)3 J/mol*K (55 to 224.5 K).; DH
44.00323.15Peppel, 1958DH

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, 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
Tboil513.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil515.05KN/ARajapakse, Finston, et al., 1986Uncertainty assigned by TRC = 0.7 K; TRC
Quantity Value Units Method Reference Comment
Tfus222.95KN/ARajapakse, Finston, et al., 1986Uncertainty assigned by TRC = 1. K; TRC
Tfus222.95KN/AHong, Waksiak, et al., 1982Uncertainty assigned by TRC = 0.3 K; TRC
Tfus218.62KN/AJones and Aikens, 1982Uncertainty assigned by TRC = 0.06 K; TRC
Quantity Value Units Method Reference Comment
Ttriple218.66KN/AFujimori and Oguni, 1994Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple224.85KN/AVasil'ev and Petrov, 1984Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple224.85KN/AVasil'ev, Korkhov, et al., 1976, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap14. ± 7.kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
13.0427.AStephenson and Malanowski, 1987Based on data from 412. - 466. K.; AC
8.08338.A,MMStephenson and Malanowski, 1987Based on data from 323. - 370. K. See also Choi and Joncich, 1971.; AC
13.8383.EBHong, Wakslak, et al., 1982Based on data from 368. - 462. K.; AC
13.2423.EBHong, Wakslak, et al., 1982Based on data from 368. - 462. K.; AC
12.7443.EBHong, Wakslak, et al., 1982Based on data from 368. - 462. K.; AC
13.2323.N/AGranzhan and Salganikova, 1972Based on data from 293. - 353. K.; AC
13.200423.VPeppel, 1958ALS

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
2.299224.85N/AVasil'ev, Korkhov, et al., 1976DH
2.299224.85N/AVasil'ev and Korkhov, 1974DH
2.14220.3DSCDing, 2004AC
1.91218.7ACFujimori and Oguni, 1994, 2Based on data from 13. - 300. K.; AC
2.30218.2N/AVasil'ev and Korkhov, 1974, 2AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
10.2224.85Vasil'ev, Korkhov, et al., 1976DH

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:


Reaction thermochemistry data

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), Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Propylene Carbonate + 2Methyl Alcohol = Propylene Glycol + Carbonic acid, dimethyl ester

By formula: C4H6O3 + 2CH4O = C3H8O2 + C3H6O3

Quantity Value Units Method Reference Comment
Deltar-1.66kcal/molKinZhang and Luo, 1991liquid phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C4H6O3+ (ion structure unspecified)

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H6O3+10.52?PEYokoyama, Jinno, et al., 1974 

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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- 810
NIST MS number 227715

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.


Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101929.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101932.Zenkevich and Malamakhov, 1987He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified

References

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

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

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]

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]

Vasil'ev, Korkhov, et al., 1976
Vasil'ev, I.A.; Korkhov, A.D.; Minkin, D.M.; Rabinovich, I.B.; Sheiman, M.S.; Nistratov, V.P., Heat capacity and thermodynamic functions for propylene carbonate. Termodin. Org. Soedin., 1976, 21-26. [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]

Masood, Pethrick, et al., 1976
Masood, A.K.M.; Pethrick, R.A.; Swinton, F.L., Physicochemical studies of super-cooled liquids. Cyclic carbonates and a-«beta»-unsaturated aldehydes, J. Chem. Soc. Faraday Trans. I, 1976, 72, 20-28. [all data]

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

Rajapakse, Finston, et al., 1986
Rajapakse, N.; Finston, H.L.; Fried, V., J. Chem. Eng. Data, 1986, 31, 408. [all data]

Hong, Waksiak, et al., 1982
Hong, C.S.; Waksiak, R.; Finston, H.; Fried, V., Some Thermodynamic Properties of Systems Containing Propylene Carbonate and Ethylene Carbonate, J. Chem. Eng. Data, 1982, 27, 146. [all data]

Jones and Aikens, 1982
Jones, A.R.; Aikens, D.A., Propylene carbonate cryoscopy., J. Chem. Eng. Data, 1982, 27, 24-5. [all data]

Fujimori and Oguni, 1994
Fujimori, H.; Oguni, M., Calorimetric study of D,L-propene carbonate: observation of the «beta»- as well as «alpha»-glass transition in the supercooled liquid, J. Chem. Thermodyn., 1994, 26, 367. [all data]

Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M., Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]

Vasil'ev, Korkhov, et al., 1976, 2
Vasil'ev, I.A.; Korkhov, A.D.; Minkin, D.M.; Rabinovich, I.B.; Sheiman, M.S.; Nistratov, V.P., Heat capacity and thermodynamic functions of propylene carbonate., Termodin. Org. Soedin., 1976, No. 5, 21. [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]

Granzhan and Salganikova, 1972
Granzhan, V.A.; Salganikova, E.A., Tr. Nauch. Issled. Proekt. Inst. Azotn. Prom. Prod. Org. Sin., 1972, 16, 85. [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]

Fujimori and Oguni, 1994, 2
Fujimori, Hiroki; Oguni, Masaharu, Calorimetric study of l,d-propene carbonate: observation of the «beta»- as well as «alpha»-glass transition in the supercooled liquid, The Journal of Chemical Thermodynamics, 1994, 26, 4, 367-378, https://doi.org/10.1006/jcht.1994.1046 . [all data]

Vasil'ev and Korkhov, 1974, 2
Vasil'ev, I.A.; Korkhov, A.D., Tr. Khim. Khim. Tekhnol., 1974, 103. [all data]

Zhang and Luo, 1991
Zhang, S.; Luo, Y., Kinetics and technological conditions for the synthesis of dimethyl carbonate, Chem. React. Eng. Tech., 1991, 7, 10-19. [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]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich and Malamakhov, 1987
Zenkevich, I.G.; Malamakhov, A.C., Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification, Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, 1987, 2, 101-106. [all data]


Notes

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