Methyl nitrate
- Formula: CH3NO3
- Molecular weight: 77.0394
- IUPAC Standard InChIKey: LRMHVVPPGGOAJQ-UHFFFAOYSA-N
- CAS Registry Number: 598-58-3
- 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: Nitric acid, methyl ester; CH3ONO2; Methylester kyseliny dusicne
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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°gas | -29.2 ± 0.3 | kcal/mol | Cm | Ray and Ogg, 1959 |
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 by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 51.859 | cal/mol*K | N/A | Gray and Smith, 1953 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
37.569 | 298.2 | Gray and Smith, 1953 | T = 13 to 295 K. |
Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 338.0 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 338.15 | K | N/A | Rogowski, 1942 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 338.15 | K | N/A | Perkin, 1889 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 190.2 | K | N/A | Gray and Smith, 1953, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.150 | kcal/mol | V | Gray and Pratt, 1957 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.32 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 303. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.970 | 190.2 | Gray and Smith, 1953 | DH |
1.97 | 190.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.36 | 190.2 | Gray and Smith, 1953 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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. |
---|---|
NIST MS number | 387 |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 525. | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | DB-5 | 548. | Helmig, Pollock, et al., 1996 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ray and Ogg, 1959
Ray, J.D.; Ogg, R.A., Jr.,
The heat of formation of methyl nitrate,
J. Phys. Chem., 1959, 63, 1522-1523. [all data]
Gray and Smith, 1953
Gray, P.; Smith, P.L.,
The thermodynamic properties of methyl nitrate,
J. Chem. Soc., 1953, 1953, 2380-2385. [all data]
Lecat, 1947
Lecat, M.,
Orthobaric Azeotropes of Sulfides,
Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]
Rogowski, 1942
Rogowski, F.,
Molecular Structure of Nitromethane, Methyl Nitrite and Methyl Nitrate in the Gas State by Electron Diffraction,
Chem. Ber., 1942, 75, 244. [all data]
Perkin, 1889
Perkin, W.H.,
The Magneto Rotatory Power of Nitrogne Compounds. also of Hydrochloric Hydrobromic and Hydroioidic Acids and of some of the Salts of Ammonia and the Compound Ammonias,
J. Chem. Soc., 1889, 55, 680. [all data]
Gray and Smith, 1953, 2
Gray, P.; Smith, P.L.,
The thermodynamic properties of methyl nitrate,
J. Chem. Soc., 1953, 1953, 2380-85. [all data]
Gray and Pratt, 1957
Gray, P.; Pratt, M.W.T.,
The latent heats of vaporization of the alkyl nitrates,
J. Chem. Soc., 1957, 2163-21. [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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P.,
Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii,
J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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