Nitric acid, 1-methylethyl ester
- Formula: C3H7NO3
- Molecular weight: 105.0926
- IUPAC Standard InChI:
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- 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
- 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
|fH°liquid||-230. ± 1.||kJ/mol||Ccb||Fairbrother, Skinner, et al., 1957||ALS|
|fH°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|
|cH°liquid||-1951. ± 1.||kJ/mol||Ccb||Fairbrother, Skinner, et al., 1957||ALS|
|cH°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|
|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|
|191.1||298.15||Lushnikov, Rubtsov, et al., 1988||T = 14 to 300 K.; DH|
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, References, Notes
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.
+ = +
By formula: C3H8O + HNO3 = C3H7NO3 + H2O
|rH°||-23.4||kJ/mol||Eqk||Rubtsov, 1986||liquid phase|
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
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, 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, Yu.I., Thermodynamic calculation of equilibrium in nitration of alcohols, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 19-22. [all data]
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 cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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