Sulfurous acid, diethyl ester
- Formula: C4H10O3S
- Molecular weight: 138.185
- IUPAC Standard InChIKey: NVJBFARDFTXOTO-UHFFFAOYSA-N
- CAS Registry Number: 623-81-4
- 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: Diethyl sulfite; Sulphurous acid diethyl ester; Diethyl sulphite; (C2H5O)2SO; Ethyl sulfite; Ethyl sulfite, (Et2SO3); Diethyl ester of sulfurous acid; NSC 8838
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -552. ± 2. | kJ/mol | Ccb | Mackle and Steele, 1969 |
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -600.45 ± 0.88 | kJ/mol | Ccb | Mackle and Steele, 1969 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3004.8 ± 2.7 | kJ/mol | Ccb | Mackle and Steele, 1969 |
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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 430. | K | N/A | Mackle and Steele, 1969, 2 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 431. | K | N/A | Carpanelli and Leandri, 1960 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 431. | K | N/A | Simon, Kriegsmann, et al., 1956 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 429. | K | N/A | Kyrides, 1944 | Uncertainty assigned by TRC = 5. K; TRC |
Tboil | 430.85 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 44.5 | kJ/mol | A | Stephenson and Malanowski, 1987 | Based on data from 283. to 431. K. See also Stull, 1947 and Dykyj, Svoboda, et al., 1999.; AC |
ΔvapH° | 49. ± 2. | kJ/mol | E | Mackle and Steele, 1969 | ALS |
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 |
---|---|---|---|---|---|
283. to 432. | 4.44222 | 1682.351 | -53.201 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.68 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Mackle and Steele, 1969
Mackle, H.; Steele, W.V.,
Studies in the thermochemistry of organic sulphites and sulphates. Part 1.-Heats of combustion and formation of some dialkyl sulphites and sulphates,
Trans. Faraday Soc., 1969, 65, 2053-2059. [all data]
Mackle and Steele, 1969, 2
Mackle, H.; Steele, W.V.,
Studies in the thermochemistry of organic sulphites and sulphates: I heats of combustion and formation of some dialkyl sulphites and sulphates,
Trans. Faraday Soc., 1969, 65, 2053-9. [all data]
Carpanelli and Leandri, 1960
Carpanelli, C.; Leandri, G.,
Organic sulfur compounds. Further investigations of aromatic thionylamines (reactions with amines and alcohols).,
Ann. Chim. (Rome), 1960, 50, 147-55. [all data]
Simon, Kriegsmann, et al., 1956
Simon, A.; Kriegsmann, H.; Dutz, H.,
Raman spectra of alkali methyl sulfites and Raman and infrared spectra of dialkyl sulfites,
Chem. Ber., 1956, 89, 2390-6. [all data]
Kyrides, 1944
Kyrides, L.P.,
Alkyl sulfites - Cyclohexyl sulfite,
J. Am. Chem. Soc., 1944, 66, 1006-7. [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]
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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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