Paraldehyde
- Formula: C6H12O3
- Molecular weight: 132.1577
- IUPAC Standard InChI: InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
- IUPAC Standard InChIKey: SQYNKIJPMDEDEG-UHFFFAOYSA-N
- CAS Registry Number: 123-63-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Stereoisomers:
- Other names: 1,3,5-Trioxane, 2,4,6-trimethyl-; s-Trioxane, 2,4,6-trimethyl-; s-Trimethyltrioxymethylene; Acetaldehyde trimer; Elaldehyde; Paraacetaldehyde; Paracetaldehyde; Paral; Pcho; 1,3,5-Trimethyl-2,4,6-trioxane; 2,4,6-Trimethyl-s-trioxane; 2,4,6-Trimethyl-1,3,5-trioxane; 2,4,6-Trimethyl-1,3,5-trioxan; Paraldehyd; Paraldeide; Triacetaldehyde; 2,4,6-Trimethyl-1,3,5-trioxaan; 2,4,6-Trimethyl-1,3,5-trioxacyclohexane; 2,4,6-Trimetil-1,3,5-triossano; Rcra waste number U182; UN 1264; Trimethyl trioxane; NSC 9799
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Gas 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -152.1 ± 0.7 | kcal/mol | Ccb | Pihlaja and Tuomi, 1970 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 89.5 ± 1.2 | cal/mol*K | N/A | Clegg G.A., 1969 | GT |
Reaction 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 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
3 =
By formula: 3C2H4O = C6H12O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -21. ± 1. | kcal/mol | Cm | Krasnov, Ozherel'eva, et al., 1983 | liquid phase; solvent: Nonaqueous; Trimerization |
| ΔrH° | -23.4 | kcal/mol | Eqk | Busfield, Lee, et al., 1973 | gas phase |
= 3
By formula: C6H12O3 = 3C2H4O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.4 | kcal/mol | Eqk | Busfield, Lee, et al., 1973 | gas phase; At 292-313 K |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pihlaja and Tuomi, 1970
Pihlaja, K.; Tuomi, M.,
Bond-Bond interactions in organic oxygen compounds. Part II. Anomalous stablization in cis-2,4,6-trimethyl-1,3,5-trioxane,
Suom. Kemistil., 1970, 43, 224-226. [all data]
Clegg G.A., 1969
Clegg G.A.,
Thermodynamics of polymerization of heterocyclic compounds. Part IV. The heat capacity, entropy, enthalpy and free energy of paraldehyde,
Makromol. Chem., 1969, 123, 194-202. [all data]
Krasnov, Ozherel'eva, et al., 1983
Krasnov, V.L.; Ozherel'eva, N.K.; Trub, E.P.; Tsvetkov, V.G.; Bodrikov, I.V.,
Trimerization of aldehydes under the action of sulfur dioxide,
J. Gen. Chem. USSR, 1983, 53, 2135-2138. [all data]
Busfield, Lee, et al., 1973
Busfield, W.K.; Lee, R.M.; Merifold, D.,
Gas phase equilibrium between acetaldehyde and paraldehyde, thermodynamic values for the trimerisation of acetaldehyde and the polymerisability of paraldehyde,
J. Chem. Soc. Faraday Trans. 1, 1973, 69, 936-940. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, References
- Symbols used in this document:
S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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