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 | -220.0 ± 0.66 | kcal/mol | Ccb | Medard and Thomas, 1954 | Heat of combustion corrected for pressure; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -660.1 ± 0.66 | kcal/mol | Ccb | Medard and Thomas, 1954 | Heat of combustion corrected for pressure; Corresponding ΔfHºsolid = -220.0 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 47.340 | cal/mol*K | N/A | Westrum, 1959 | DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 45.029 | 298.98 | Zhang and Yang, 1989 | T = 277 to 510 K.; DH |
| 45.509 | 298.15 | Westrum, 1959 | Based on data 10 to 350 K, to be reported elsewhere.; DH |
| 60.80 | 373.2 | Nitta, Seki, et al., 1950 | T = 373 to 567 K.; DH |
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
+
= C5H11NO6 +
By formula: C5H12O4 + HNO3 = C5H11NO6 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.70 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase |
References
Go To: Top, Condensed phase thermochemistry data, Reaction 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]
Tsvetkov, Sopin, et al., 1986
Tsvetkov, V.G.; Sopin, V.P.; Tsvetkova, L.Ya.; Marchenko, G.N.,
Enthalpy of reaction of nitric acid with some organic compounds,
J. Gen. Chem. USSR, 1986, 56, 471-474. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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