2-Chloroethyl ethyl sulfide
- Formula: C4H9ClS
- Molecular weight: 124.632
- IUPAC Standard InChI: InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3
- IUPAC Standard InChIKey: GBNVXYXIRHSYEG-UHFFFAOYSA-N
- CAS Registry Number: 693-07-2
- 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: Ethane, 1-chloro-2-(ethylthio)-; β-Ethylmerkaptoethylchlorid; Ethyl 2-chloroethyl sulfide; Sulfide, chloroethyl ethyl; Sulfide, 2-chloroethyl ethyl; 1-Chloro-2-(ethylthio)ethane; 2-(Ethylthio)chloroethane; 2-Chloroethyl ethyl thioether; 2-Ethylthioethyl chloride; Chlordiethylsulfid; Ethyl β-chloroethyl sulfide; Half-mustard gas; h-MG; NSC 10977; Half-sulfur mustard; 2-chloroethyl ethyl sulphide
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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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 430.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 337.2 | 0.062 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.6 | 308. | A,GS | Stephenson and Malanowski, 1987 | Based on data from 293. to 333. K. See also Redemann, Chaikin, et al., 1948 and Dykyj, 1971.; AC |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Condensed Phase Spectrum
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Additional Data
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| Owner | Public domain |
|---|---|
| Origin | Pacific Northwest National Laboratory Under IARPA Contract |
| Date | March 2017 |
| State | liquid |
| Instrument | Bruker Tensor 27 FTIR |
| Instrument resolution | 2.0 cm-1 |
| IR source | Silicon carbide glow bar |
| Aperture | 3 mm |
| Beam splitter | Broadband potassium bromide (KBr) |
| Detector | DLTGS at room temperature |
| Scanner velocity | 10 kHz |
| Phase correction | Mertz |
| Interferogram zero fill | 4x |
| Spectral interval after zero fill | 0.4823 cm-1 |
| Spectral range | 7800 to 400 cm-1 (1.282 to 25 microns) |
| Resolution | 0.48212986 |
| Apodization | Norton-Beer, Medium |
| Folding limits | 15802 to 0 cm-1 |
| Number of interferograms averaged per single channel spectrum | 128 |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-IW-1535 |
| NIST MS number | 238064 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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]
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]
Redemann, Chaikin, et al., 1948
Redemann, C. Ernst; Chaikin, Saul W.; Fearing, Ralph B.,
The Volatility and Vapor Pressure of Eight 2-Chloroethyl Alkyl (or Cycloalkyl) Sulfides 1,
J. Am. Chem. Soc., 1948, 70, 2, 631-633, https://doi.org/10.1021/ja01182a059
. [all data]
Dykyj, 1971
Dykyj, J.,
Petrochemia, 1971, 11, 2, 27. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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