1,4-Oxathiane
- Formula: C4H8OS
- Molecular weight: 104.171
- IUPAC Standard InChI: InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2
- IUPAC Standard InChIKey: JBYHSSAVUBIJMK-UHFFFAOYSA-N
- CAS Registry Number: 15980-15-1
- 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: p-Thioxane; 1-Oxa-4-thiacyclohexane; 1,4-Oxathiin, 2,3,5,6-tetrahydro-; 1,4-Thioxane; Oxathiane; 1-Thia-4-oxacyclohexane; NSC 49179
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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 251.5 | K | N/A | Anonymous, 1957 | Uncertainty assigned by TRC = 0.6 K; TRC |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 420.2 | 1.01 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 42.1 | 378. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 342. to 411. K.; AC |
| 44.8 | 357. | A | Stephenson and Malanowski, 1987 | Based on data from 342. to 411. K.; AC |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
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)
Go To: Top, Phase change data, IR Spectrum, 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
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. |
|---|---|
| NIST MS number | 1323 |
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.
Anonymous, 1957
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 6, Carnegie-Mellon Univ., 1957. [all data]
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]
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]
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]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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