1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate (ester)
- Formula: C5H9N3O9
- Molecular weight: 255.1397
- IUPAC Standard InChI: InChI=1S/C5H9N3O9/c1-5(2-15-6(9)10,3-16-7(11)12)4-17-8(13)14/h2-4H2,1H3
- IUPAC Standard InChIKey: IPPYBNCEPZCLNI-UHFFFAOYSA-N
- CAS Registry Number: 3032-55-1
- 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-(hydroxymethyl)-2-methyl-, trinitrate; Metriol trinitrate; Trimethylolethane trinitrate; Tris(hydroxymethyl)ethane trinitrate; TMETN; 1,1,1-Trimethylolethane trinitrate; 2-Methyl-2-hydroxymethyl-1,3-propanediol trinitrate; 2-Methyl-2-nitro-oxymethyltrimethylene dinitrate; 1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate; 2-Methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate
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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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -671.9 | kcal/mol | Ccb | Handrick, 1956 | W. R. Tomlinson 1949 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -107.6 | kcal/mol | Ccb | Tavernier, 1956 |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 21.07 ± 0.03 | kcal/mol | V | Woodman and Adicoff, 1963 | ALS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 21.1 | 314. | A | Stephenson and Malanowski, 1987 | Based on data from 299. to 345. K.; AC |
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.
Handrick, 1956
Handrick, G.R.,
Report of the study of pure explosive compounds. Part IV. Calculation of heat of combustion of organic compounds from structural features and calculation of power of high explosives, Rpt. C-58247 for the Office of the Chief of Ordnance, contract DA-19-020-ORD-47 by the Arthur D. Little, Inc., Cambridge, MA, 1956, 467-573. [all data]
Tavernier, 1956
Tavernier, P.,
Donnees thermochimiques relatives aux constituants des poudres,
Mem. Poudres, 1956, 301-327. [all data]
Woodman and Adicoff, 1963
Woodman, A.L.; Adicoff, A.,
Vapor pressure of triacetin, triethylene glycol dinitrte, and metriol trinitrate,
J. Chem. Eng. Data, 1963, 8, 241-242. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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