2-Thiophenecarboxaldehyde
- Formula: C5H4OS
- Molecular weight: 112.150
- IUPAC Standard InChIKey: CNUDBTRUORMMPA-UHFFFAOYSA-N
- CAS Registry Number: 98-03-3
- 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: α-Formylthiophene; α-Thiophenecarboxaldehyde; 2-Formylthiophene; 2-Thienylaldehyde; 2-Thienylcarboxaldehyde; 2-Thiophenealdehyde; Thiophene-2-carboxaldehyde; Thiophene-2-aldehyde; Thiophene-2-carbaldehyde; 2-Thiophenecarbaldehyde; 2-Thiophenaldehyde; 2-Carboxaldehyde-thiophene; 2-Thiophencarboxaldehyde; 2-Thiophene carboxyaldehyde; 2-Thienaldehyde; NSC 2162; thiophenecarboxaldehyde; 2-thiophenic aldehyde; thiophen-2-carboxaldehyde
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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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 470.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 13.1 ± 0.26 | kcal/mol | C | Ribeiro da Silva and Santos, 2008 | AC |
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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.55 ± 0.05 | EI | Linda, Marino, et al., 1971 | |
9.37 ± 0.05 | PE | Fringuelli, Marino, et al., 1976 | Vertical value |
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]
Ribeiro da Silva and Santos, 2008
Ribeiro da Silva, Manuel A.V.; Santos, Ana Filipa L.O.M.,
Energetics of thiophenecarboxaldehydes and some of its alkyl derivatives,
The Journal of Chemical Thermodynamics, 2008, 40, 6, 917-923, https://doi.org/10.1016/j.jct.2008.02.004
. [all data]
Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S.,
A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization,
J. Chem. Soc. B, 1971, 1585. [all data]
Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S.,
Photoelectron spectra of the α-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies,
J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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