- InChI
- InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
- InChI Key
- CNUDBTRUORMMPA-UHFFFAOYSA-N
- Formula
- C5H4OS
- SMILES
- O=Cc1cccs1
- Molecular Weight1
- 112.15
- CAS
- 98-03-3
- Other Names
-
- 2-Carboxaldehyde-thiophene
- 2-Formylthiophene
- 2-Thienaldehyde
- 2-Thienylaldehyde
- 2-Thienylcarboxaldehyde
- 2-Thiophenaldehyde
- 2-Thiophencarboxaldehyde
- 2-Thiophene carboxyaldehyde
- 2-Thiophenecarbaldehyde
- 2-thiophenealdehyde
- 2-thiophenic aldehyde
- NSC 2162
- Thiophene-2-aldehyde
- Thiophene-2-carbaldehyde
- Thiophene-2-carboxaldehyde
- thiophen-2-carboxaldehyde
- thiophenecarboxaldehyde
- «alpha»-Formylthiophene
- «alpha»-Thiophenecarboxaldehyde
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3337 | Relay (1.0) Calculated Property | |
| ΔfG° | -15.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -30.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 54.90 ± 1.10 | kJ/mol | NIST |
| IE | [9.37; 9.55] | eV |
|
| IE | 9.55 ± 0.05 | eV | NIST |
| IE | 9.37 ± 0.05 | eV | NIST |
| log10WS | -1.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.561 | Crippen Calculated Property | |
| McVol | 79.770 | ml/mol | McGowan Calculated Property |
| Pc | 5473.42 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [960.00; 1026.00] |
|
|
| Inp | 974.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 990.00 | NIST | |
| I | [1655.00; 1734.00] |
|
|
| I | 1663.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1689.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1687.00 | NIST | |
| I | 1718.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1701.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1718.00 | NIST | |
| I | Outlier 1734.00 | NIST | |
| I | Outlier 1734.00 | NIST | |
| I | 1689.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1689.00 | NIST | |
| I | 1663.00 | NIST | |
| Tboil | 470.20 | K | NIST |
| Tc | 712.23 | K | Relay (1.0) Calculated Property |
| Tfus | 263.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.279 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxaldehyde.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Thermophysical properties of oxygenated thiophene derivatives: Experimental data and modelling
- McGowan Method
- NIST Webbook
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