1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
- Formula: C4H9NO5
- Molecular weight: 151.1180
- IUPAC Standard InChI: InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
- IUPAC Standard InChIKey: OLQJQHSAWMFDJE-UHFFFAOYSA-N
- CAS Registry Number: 126-11-4
- 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: Isobutylglycerol, nitro-; Methane, trimethylolnitro-; Nitroisobutylglycerol; Nitrotris(hydroxymethyl)methane; Trihydroxymethylnitromethane; Trimethylolnitromethane; Tris Nitro; Tris(hydroxymethyl)nitromethane; 1,1,1-Tris(hydroxymethyl)nitromethane; 2-(Hydroxymethyl)-2-nitropropanediol; 2-(Hydroxymethyl)-2-nitro-1,3-propanediol; Cimcool wafers; 2-(Hydroxymethyl)-2-nitropropane-1,3-diol; 2-Nitro-2-(hydroxymethyl)-1,3-propanediol; Nitrotrimethylolmethane; NSC 17675; nitromethylidynetrimethanol
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Condensed phase thermochemistry data
Go To: Top, Phase change 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -742.2 | kJ/mol | Ccb | Medard and Thomas, 1953 | Heat of combustion corrected for pressure |
| ΔfH°solid | -729.4 ± 3.1 | kJ/mol | Ccb | Currie, Bennett, et al., 1952 | see Currie, 1950 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2118. | kJ/mol | Ccb | Medard and Thomas, 1953 | Heat of combustion corrected for pressure |
| ΔcH°solid | -2131.0 ± 3.1 | kJ/mol | Ccb | Currie, Bennett, et al., 1952 | see Currie, 1950 |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 by: Eugene S. Domalski and Elizabeth D. Hearing
Enthalpy of phase transition
| ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 22.446 | 354. | crystaline, II | crystaline, I | Murrill and Breed, 1970 | 457 K Decomposition. |
Entropy of phase transition
| ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 63.6 | 354. | crystaline, II | crystaline, I | Murrill and Breed, 1970 | 457 |
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.
Medard and Thomas, 1953
Medard, L.; Thomas, M.,
Determination des chaleurs de combustion de treize substances explosives ou apparentees a des explosifs,
Mem. Poudres, 1953, 35, 155-173. [all data]
Currie, Bennett, et al., 1952
Currie, R.M.; Bennett, C.O.; Holcomb, D.E.,
Heats of combustion of some nitro alcohols,
Ind. Eng. Chem., 1952, 44, 329-331. [all data]
Currie, 1950
Currie, R.M.,
Heats of combustion of some nitroalcohols, Thesis for Purdue University, 1950, 1-84. [all data]
Murrill and Breed, 1970
Murrill, E.; Breed, L.,
Solid-solid phase transitions determined by differential scanning calorimetry,
Thermochim. Acta, 1970, 1, 239-246. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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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