Pentaerythritol
- Formula: C5H12O4
- Molecular weight: 136.1464
- IUPAC Standard InChI: InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
- IUPAC Standard InChIKey: WXZMFSXDPGVJKK-UHFFFAOYSA-N
- CAS Registry Number: 115-77-5
- 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. - Other names: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-; Auxinutril; Hercules P6; Maxinutril; Metab-Auxil; Methane tetramethylol; Monopentek; Penetek; Pentaerythrite; Pentek; PE 200; Tetrahydroxymethylmethane; Tetrakis(hydroxymethyl)methane; Tetramethylolmethane; 2,2-Bis(hydroxymethyl)-1,3-propanediol; Auxenutril; Monopentaerythritol; 1,1,1-Tris(hydroxymethyl)ethanol; Hercules Mono-PE; Pentaertyhritol; PETP; THME; Methane, tetrakis(hydroxymethyl)-,; NSC 8100; Charmor PM 15
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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 |
|---|---|---|---|---|---|
| ΔfH°solid | -920.5 ± 2.8 | kJ/mol | Ccb | Medard and Thomas, 1954 | Heat of combustion corrected for pressure; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2762. ± 2.8 | kJ/mol | Ccb | Medard and Thomas, 1954 | Heat of combustion corrected for pressure; Corresponding ΔfHºsolid = -920.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 198.07 | J/mol*K | N/A | Westrum, 1959 | DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 188.40 | 298.98 | Zhang and Yang, 1989 | T = 277 to 510 K.; DH |
| 190.41 | 298.15 | Westrum, 1959 | Based on data 10 to 350 K, to be reported elsewhere.; DH |
| 254.4 | 373.2 | Nitta, Seki, et al., 1950 | T = 373 to 567 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Medard and Thomas, 1954
Medard, L.; Thomas, M.,
Chaleurs de combustion de vingt-quatre substances explosives ou apparentees a des explosifs,
Mem. Poudres, 1954, 36, 97-127. [all data]
Westrum, 1959
Westrum, E.F., Jr.,
Ordering transitions in symmetrical molecules, Symp. Thermodynam. Fritens-Wattens,
Tirol Austria, 1959, No.36, 11p. [all data]
Zhang and Yang, 1989
Zhang, Z.Y.; Yang, M.L.,
Heat capacities and phase transitions of 1,1,1-trihydroxymethylpropane and pentaerythritol over the superambient temperature range,
Themochim. Acta, 1989, 156, 157-161. [all data]
Nitta, Seki, et al., 1950
Nitta, I.; Seki, S.; Momotani, M.,
On the phase transition in pentaerythritol (I),
Proc. Japan Acad. 26, 1950, No.9, 25-29. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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