Propylene Glycol
- Formula: C3H8O2
- Molecular weight: 76.0944
- IUPAC Standard InChI: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
- IUPAC Standard InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N
- CAS Registry Number: 57-55-6
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 1,2-Propanediol; α-Propylene glycol; Methylethyl glycol; Methylethylene glycol; Monopropylene glycol; PG 12; Sirlene; 1,2-Dihydroxypropane; 1,2-Propylene glycol; 2-Hydroxypropanol; 2,3-Propanediol; Propane-1,2-diol; Dowfrost; Propylene glycol USP; 1,2-Propylenglykol; Solar winter ban; Sentry Propylene Glycol; Isopropylene glycol; Ucar 35; Solargard P; Ilexan P; Prolugen; Trimethyl glycol; 1,2-Propandiol; Propylenglycol; (RS)-1,2-Propanediol; (.+/-.)-1,2-Propanediol; DL-1,2-Propanediol; NSC 69860; DL-Propylene glycol; propylene glycol (1,2-propanediol); 1,2-propanediol (propylene glycol); propanediol; Methyl glycol
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, 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
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -429.8 ± 4.1 | kJ/mol | Ccb | Knauth and Sabbah, 1990 | ALS |
| ΔfH°gas | -421. ± 3. | kJ/mol | Ccb | Gardner and Hussain, 1972 | ALS |
| ΔfH°gas | -435.3 | kJ/mol | N/A | Moureu and Dode, 1937 | Value computed using ΔfHliquid° value of -500.3±1.8 kj/mol from Moureu and Dode, 1937 and ΔvapH° value of 65.0 kj/mol from Gardner and Hussain, 1972.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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 | -501.0 ± 4.1 | kJ/mol | Ccb | Knauth and Sabbah, 1990 | ALS |
| ΔfH°liquid | -486. ± 3. | kJ/mol | Ccb | Gardner and Hussain, 1972 | ALS |
| ΔfH°liquid | -500.3 ± 1.8 | kJ/mol | Ccb | Moureu and Dode, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -499.2 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1822.9 ± 4.1 | kJ/mol | Ccb | Knauth and Sabbah, 1990 | Corresponding ΔfHºliquid = -501.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1838.1 ± 2.3 | kJ/mol | Ccb | Gardner and Hussain, 1972 | Corresponding ΔfHºliquid = -485.76 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1823.5 ± 1.8 | kJ/mol | Ccb | Moureu and Dode, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1824. kJ/mol; Corresponding ΔfHºliquid = -500.32 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 189.9 | 298. | Zaripov, 1982 | T = 298, 323, 363 K.; DH |
| 177.0 | 303. | Kawaizumi, Otake, et al., 1972 | DH |
| 180.3 | 276.7 | Parks and Huffman, 1927 | T = 91 to 277 K. Value is unsmoothed experimental datum.; DH |
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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CH5O+ | 10.04 ± 0.05 | CH3CO | EI | Holmes and Lossing, 1984 | LBLHLM |
| C2H5O+ | 10.16 ± 0.05 | CH2OH | EI | Holmes and Lossing, 1984 | LBLHLM |
| C2H5O+ | 10.25 | CH2OH | EI | Lossing, 1977 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R.,
Energetics of inter- and intramolecular bonds in alkanediols. IV. The thermochemical study of 1,2-alkanediols at 298.15 K,
Thermochim. Acta, 1990, 164, 145-152. [all data]
Gardner and Hussain, 1972
Gardner, P.J.; Hussain, K.S.,
The standard enthalpies of formation of some aliphatic diols,
J. Chem. Thermodyn., 1972, 4, 819-827. [all data]
Moureu and Dode, 1937
Moureu, H.; Dode, M.,
Chaleurs de formation de l'oxyde d'ethylene, de l'ethanediol et de quelques homologues,
Bull. Soc. Chim. France, 1937, 4, 637-647. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Zaripov, 1982
Zaripov, Z.I.,
Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [all data]
Kawaizumi, Otake, et al., 1972
Kawaizumi, F.; Otake, T.; Nomura, H.; Miyahara, Y.,
Heat capacities of aqueous solutions of ethylene glycol, propylene glycol and 1,3-butanediol,
Nippon Kagaku. Kaishi, 1972, 1972, 1733-1776. [all data]
Parks and Huffman, 1927
Parks, G.S.; Huffman, H.M.,
Studies on glass. I. The transition between the glassy and liquid states in the case of some simple organic compounds,
J. Phys. Chem., 1927, 31, 1842-1855. [all data]
Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P.,
Heats of formation of organic radicals from appearance energies,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]
Lossing, 1977
Lossing, F.P.,
Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability,
J. Am. Chem. Soc., 1977, 99, 7526. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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