Propylene Carbonate
- Formula: C4H6O3
- Molecular weight: 102.0886
- IUPAC Standard InChI: InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
- IUPAC Standard InChIKey: RUOJZAUFBMNUDX-UHFFFAOYSA-N
- CAS Registry Number: 108-32-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: 1,3-Dioxolan-2-one, 4-methyl-; Carbonic acid, cyclic propylene ester; Cyclic methylethylene carbonate; Cyclic propylene carbonate; Cyclic 1,2-propylene carbonate; Propylene glycol cyclic carbonate; 1-Methylethylene carbonate; 1,2-Propanediol carbonate; 1,2-Propanediol cyclic carbonate; 1,2-Propanediyl carbonate; 1,2-Propylene carbonate; 4-Methyl-1,3-dioxolan-2-one; 1,2-Propylene glycol carbonate; 4-Methyl-1,3-dioxol-2-one; Dipropylene carbonate; 4-Methyldioxalone-2; 4-Methyl-2-oxo-1,3-dioxolane; 1,2-PDC; Propylenester kyseliny uhlicite; Arconate propylene carbonate; PC-HP; Solvenon PC; Texacar PC; Arconate 5000; Carbonic acid cyclic methylethylene ester; Carbonic acid, propylene ester; NSC 11784
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, 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:
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -613. ± 1. | kJ/mol | Ccb | Vasil'eva, Zhil'tosova, et al., 1972 | ALS |
| ΔfH°liquid | -631.8 ± 2.1 | kJ/mol | Ccb | Choi and Joncich, 1971 | Pedley's value is off by 4.46kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1818. ± 1. | kJ/mol | Ccb | Vasil'eva, Zhil'tosova, et al., 1972 | Corresponding ΔfHºliquid = -613.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1799.7 ± 2.1 | kJ/mol | Ccb | Choi and Joncich, 1971 | Pedley's value is off by 4.46kcal/mol; Corresponding ΔfHºliquid = -631.83 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 218.6 | J/mol*K | N/A | Vasil'ev, Korkhov, et al., 1976 | DH |
| S°liquid | 219.17 | J/mol*K | N/A | Vasil'ev and Korkhov, 1974 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 175. | 298. | Masood, Pethrick, et al., 1976 | T = 200 to 325 K. Data graphically only. Value estimated from graph.; DH |
| 167.4 | 298.15 | Vasil'ev, Korkhov, et al., 1976 | T = 5 to 415 K.; DH |
| 167.60 | 298.15 | Vasil'ev and Korkhov, 1974 | T = 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 |
| 184.1 | 323.15 | Peppel, 1958 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry 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, Condensed phase thermochemistry 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 929. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 932. | Zenkevich and Malamakhov, 1987 | He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified |
References
Go To: Top, Condensed phase thermochemistry 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]
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-β-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]
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, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.