Nitric acid, 1-methylethyl ester
- Formula: C3H7NO3
- Molecular weight: 105.0926
- IUPAC Standard InChI: InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3
- IUPAC Standard InChIKey: GAPFWGOSHOCNBM-UHFFFAOYSA-N
- CAS Registry Number: 1712-64-7
- 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: Isopropyl nitrate; Nitric acid, isopropyl ester; (CH3)2CHONO2; Isopropylester kyseliny dusicne; UN 1222
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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°liquid | -230. ± 1. | kJ/mol | Ccb | Fairbrother, Skinner, et al., 1957 | ALS |
| ΔfH°liquid | -226.0 ± 2.0 | kJ/mol | Ccb | Tavernier and Lamouroux, 1957 | Reanalyzed by Cox and Pilcher, 1970, Original value = -222.0 kJ/mol; Author's hf298_condensed=-54.619 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1951. ± 1. | kJ/mol | Ccb | Fairbrother, Skinner, et al., 1957 | ALS |
| ΔcH°liquid | -1954.9 ± 2.0 | kJ/mol | Ccb | Tavernier and Lamouroux, 1957 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1958.97 kJ/mol; Author's hf298_condensed=-54.619 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 263.2 | J/mol*K | N/A | Lushnikov, Rubtsov, et al., 1988 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 200.7 | 350. | Bunyan, 1988 | DH |
| 191.1 | 298.15 | Lushnikov, Rubtsov, et al., 1988 | T = 14 to 300 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
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By formula: C3H8O + HNO3 = C3H7NO3 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -23.4 | kJ/mol | Eqk | Rubtsov, 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.
Fairbrother, Skinner, et al., 1957
Fairbrother, D.M.; Skinner, H.A.; Evans, F.W.,
The heats of combustion of organic compounds of nitrogen,
Trans. Faraday Soc., 1957, 53, 779-783. [all data]
Tavernier and Lamouroux, 1957
Tavernier, P.; Lamouroux, M.,
Determinations calorimetriques relatives a vingt et une substances organiques,
Mem. Poudres, 1957, 39, 335-356. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Lushnikov, Rubtsov, et al., 1988
Lushnikov, V.N.; Rubtsov, Yu.I.; Eremenko, L.T.; Korolev, A.M.,
Specific heat and standard entropy of isopropyl nitrate,
Zhur. Fiz. Khim., 1988, 62, 1209-1214. [all data]
Bunyan, 1988
Bunyan, P.F.,
A technique to measure the specific heat of reactive materials by heat flow calorimetry,
Thermochim. Acta, 1988, 130, 335-344. [all data]
Rubtsov, 1986
Rubtsov, Yu.I.,
Thermodynamic calculation of equilibrium in nitration of alcohols,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 19-22. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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