Pentaerythrityl tetrachloride
- Formula: C5H8Cl4
- Molecular weight: 209.929
- IUPAC Standard InChI: InChI=1S/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2
- IUPAC Standard InChIKey: KPZGRMZPZLOPBS-UHFFFAOYSA-N
- CAS Registry Number: 3228-99-7
- 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. - Other names: 1,3-Dichloro-2,2-bis(chloromethyl) propane; Propane, 1,3-dichloro-2,2-bis(chloromethyl)-; Methane, tetrakis(chloromethyl)-; Pentaerythritol tetrachloride; Tetrakis(chloromethyl)methane; 2,2-Bis(chloromethyl)-1,3-dichloropropane
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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 by: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°solid,1 bar | 57.510 | cal/mol*K | N/A | Clever, Wong, et al., 1965 | crystaline, II phase; Based on low temperature data of 62PAY/WES. |
| S°solid,1 bar | 61.539 | cal/mol*K | N/A | Payne and Westrum, 1962 | |
| S°solid,1 bar | 61.539 | cal/mol*K | N/A | Westrum, 1959 |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 44.680 | 298.15 | Clever, Wong, et al., 1965 | crystaline, II phase; T = 290 to 420 K. |
| 47.440 | 298.15 | Payne and Westrum, 1962 | T = 6 to 300 K. Anomalous region, 220 to 240 K. |
| 47.440 | 298.15 | Westrum, 1959 | Based on data 10 to 350 K, to be reported elsewhere. |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 383.2 | 0.016 | Weast and Grasselli, 1989 | BS |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 5.3200 | 368.23 | crystaline, II | crystaline, I | Clever, Wong, et al., 1965 | DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 14.45 | 368.23 | crystaline, II | crystaline, I | Clever, Wong, et al., 1965 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Clever, Wong, et al., 1965
Clever, H.L.; Wong, W-K.; Westrum, E.F., Jr.,
Heat capacities and thermodynamic properties of globular molecules. XIII. Transition and fusion of pentaerythrityl chloride and bromide, transition of pentaerythrityl iodide,
J. Phys. Chem., 1965, 69, 1209-1213. [all data]
Payne and Westrum, 1962
Payne, D.H.; Westrum, E.F., Jr.,
Heat capacities and thermodynamic properties of globular molecules. IV. Pentaerythrityl chloride, bromide, and iodide from 6 to 300°K,
J. Phys. Chem., 1962, 66, 748-751. [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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change 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) Tboil Boiling point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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