Nitric acid, ethyl ester
- Formula: C2H5NO3
- Molecular weight: 91.0660
- IUPAC Standard InChIKey: IDNUEBSJWINEMI-UHFFFAOYSA-N
- CAS Registry Number: 625-58-1
- 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: Ethyl nitrate; C2H5ONO2; Nitric ether; Ethylester kyseliny dusicne; NA 1993
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Phase change data
Go To: Top, Gas phase ion energetics 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:
BS - Robert L. Brown and Stephen E. Stein
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 | 360.4 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 360.9 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 361.9 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 361.85 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 360.75 | K | N/A | Perkin, 1889 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 171.15 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 178.6 | K | N/A | Gray and Smith, 1954 | Uncertainty assigned by TRC = 0.2 K; adiabatic calorimeter; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 36.28 | kJ/mol | V | Gray and Pratt, 1957 | ALS |
ΔvapH° | 36. | kJ/mol | V | Gray, Pratt, et al., 1956 | See Gray and Smith, 1954, 2; ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
37. | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 361. K. See also Dykyj, 1970.; AC |
37.3 | 288. | N/A | Gray and Pratt, 1957, 2 | Based on data from 273. to 343. K.; AC |
37. | 288. | N/A | Gray, Pratt, et al., 1956, 2 | Based on data from 273. to 333. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
273. to 333. | 4.28523 | 1337.035 | -48.37 | Gray, Pratt, et al., 1956 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.527 | 178.6 | Gray and Smith, 1954, 2 | DH |
8.53 | 178.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
47.74 | 178.6 | Gray and Smith, 1954, 2 | DH |
Gas phase ion energetics 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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.22 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2NO3+ | 11.4 | CH3 | EI | Fraser and Paul, 1968 | RDSH |
CH2NO3+ | 10.13 ± 0.11 | CH3 | EI | Collin, 1963 | RDSH |
CH2O+ | 11.76 ± 0.65 | ? | EI | Collin, 1963 | RDSH |
CH3+ | 13.75 ± 0.50 | ? | EI | Collin, 1963 | RDSH |
C2H5+ | 11.86 ± 0.25 | ? | EI | Collin, 1963 | RDSH |
NO2+ | 12.3 | C2H5O | EI | Fraser and Paul, 1968 | RDSH |
NO2+ | 11.40 ± 0.12 | C2H5O | EI | Collin, 1962 | RDSH |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Lecat, 1947
Lecat, M.,
Orthobaric Azeotropes of Sulfides,
Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 6th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]
Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F.,
Freezing points of orgainic substances VI. New experimental determinations.,
Bull. Soc. Chim. Belg., 1921, 30, 213. [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, 1954
Gray, P.; Smith, P.L.,
Low-temperature calorimetry and the thermodynamic properties of ethyl nitrate,
J. Chem. Soc., 1954, 1954, 769-73. [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]
Gray, Pratt, et al., 1956
Gray, P.; Pratt, M.W.T.; Larkin, M.J.,
39. The latent heat of vaporization and the thermochemistry of ethyl nitrate,
J. Chem. Soc., 1956, 210-212. [all data]
Gray and Smith, 1954, 2
Gray, P.; Smith, P.L.,
Low-temperature calorimetry and the thermodynamic properties of ethyl nitrate,
J. Chem. Soc., 1954, 769-773. [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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Gray and Pratt, 1957, 2
Gray, Peter; Pratt, M.W.T.,
414. The latent heats of vaporization of the alkyl nitrates,
J. Chem. Soc., 1957, 2163, https://doi.org/10.1039/jr9570002163
. [all data]
Gray, Pratt, et al., 1956, 2
Gray, Peter; Pratt, M.W.T.; Larkin, M.J.,
39. The latent heat of vaporization and the thermochemistry of ethyl nitrate,
J. Chem. Soc., 1956, 210, https://doi.org/10.1039/jr9560000210
. [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]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Fraser and Paul, 1968
Fraser, R.T.M.; Paul, N.C.,
The mass spectrometry of nitrate esters and related compounds. Part I,
J. Chem. Soc. B, 1968, 659. [all data]
Collin, 1963
Collin, J.E.,
L'ionisation et la dissociation du nitrate d'ethyle sous l'impact electronique, et le potential d'ionisation du dioxyde d'azote,
Bull. Soc. Roy. Sci. Liege, 1963, 32, 133. [all data]
Collin, 1962
Collin, J.E.,
Ionization potential of NO2,
Nature, 1962, 196, 373. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature 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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