1,2,3-Propanetriol, 1-nitrate
- Formula: C3H7NO5
- Molecular weight: 137.0914
- IUPAC Standard InChI: InChI=1S/C3H7NO5/c5-1-3(6)2-9-4(7)8/h3,5-6H,1-2H2
- IUPAC Standard InChIKey: HXWLJBVVXXBZCM-UHFFFAOYSA-N
- CAS Registry Number: 624-43-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Glycerol, 1-nitrate; Glycerol 1-mononitrate; Glyceryl 1-mononitrate; Glycerol-1-nitrat; 1-MNG; 1-Mononitroglycerin; Glycerin 1-nitrate
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Reaction thermochemistry data
Go To: Top, Mass spectrum (electron ionization), 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
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
+
=
+
By formula: C3H8O3 + HNO3 = C3H7NO5 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4.5 ± 0.5 | kcal/mol | Eqk | Kazakov, Kirpichev, et al., 1990 | liquid phase; Heat of Nitration |
| ΔrH° | -2.39 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase |
+
=
+
By formula: C3H6N2O7 + H2O = C3H7NO5 + HNO3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.7 ± 0.6 | kcal/mol | Eqk | Kazakov, Kirpichev, et al., 1990 | liquid phase; Heat of nitration |
+ 2
=
+ 2
By formula: C3H7NO5 + 2HNO3 = C3H5N3O9 + 2H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4.2 ± 0.3 | kcal/mol | Cm | Kazakov, Lagodzinskaya, et al., 1989 | liquid phase |
Mass spectrum (electron ionization)
Go To: Top, Reaction 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | MINISTRY OF TECH., E.R.D.E., WALTHAM ABBEY, UK |
| NIST MS number | 3499 |
References
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kazakov, Kirpichev, et al., 1990
Kazakov, A.I.; Kirpichev, E.P.; Lagodzinskaya, G.V.; Andrienko, L.P.; Yunda, N.G.; Korolev, A.M.; Rubstov, Yu.I.; Manelis, G.B.; Eremenko, L.T.,
Study of nitration equilibrium in the glycerin-aqueous nitric acid system. 2. Changes in ΔH and ΔS in the nitration reaction,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1990, 1565-1570. [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]
Kazakov, Lagodzinskaya, et al., 1989
Kazakov, A.I.; Lagodzinskaya, E.P.; Kirpichev, E.P.; Andrienko, L.P.; Yunda, N.G.; Korolev, A.M.; Robtsov, Yu.I.; Manelis, G.V.; Eremenko, L.T.,
Thermodynamics of nitration of glycerol,
Dokl. Phys. Chem. (Engl. Transl.), 1989, 305, 287-291. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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