- 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
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| 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 | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.561 | Crippen Calculated Property | |
| McVol | 79.770 | ml/mol | McGowan 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.66; 37.20] | kPa | [336.42; 433.17] |
|
| Pvap | 0.66 | kPa | 336.42 | Thermop... |
| Pvap | 0.85 | kPa | 340.70 | Thermop... |
| Pvap | 1.14 | kPa | 345.63 | Thermop... |
| Pvap | 1.40 | kPa | 349.65 | Thermop... |
| Pvap | 1.73 | kPa | 353.70 | Thermop... |
| Pvap | 1.92 | kPa | 356.19 | Thermop... |
| Pvap | 2.27 | kPa | 359.55 | Thermop... |
| Pvap | 2.55 | kPa | 361.67 | Thermop... |
| Pvap | 2.92 | kPa | 364.68 | Thermop... |
| Pvap | 3.27 | kPa | 366.94 | Thermop... |
| Pvap | 3.60 | kPa | 368.98 | Thermop... |
| Pvap | 4.14 | kPa | 372.07 | Thermop... |
| Pvap | 4.64 | kPa | 374.68 | Thermop... |
| Pvap | 5.07 | kPa | 376.79 | Thermop... |
| Pvap | 5.30 | kPa | 377.74 | Thermop... |
| Pvap | 5.80 | kPa | 379.92 | Thermop... |
| Pvap | 6.50 | kPa | 382.69 | Thermop... |
| Pvap | 7.58 | kPa | 386.72 | Thermop... |
| Pvap | 8.41 | kPa | 389.41 | Thermop... |
| Pvap | 9.29 | kPa | 391.94 | Thermop... |
| Pvap | 10.41 | kPa | 394.82 | Thermop... |
| Pvap | 12.29 | kPa | 399.42 | Thermop... |
| Pvap | 13.11 | kPa | 401.02 | Thermop... |
| Pvap | 14.06 | kPa | 403.00 | Thermop... |
| Pvap | 15.05 | kPa | 404.90 | Thermop... |
| Pvap | 16.14 | kPa | 407.06 | Thermop... |
| Pvap | 17.25 | kPa | 408.95 | Thermop... |
| Pvap | 18.60 | kPa | 411.16 | Thermop... |
| Pvap | 19.66 | kPa | 412.82 | Thermop... |
| Pvap | 20.41 | kPa | 413.90 | Thermop... |
| Pvap | 21.80 | kPa | 415.91 | Thermop... |
| Pvap | 23.36 | kPa | 418.01 | Thermop... |
| Pvap | 24.95 | kPa | 420.05 | Thermop... |
| Pvap | 26.60 | kPa | 422.07 | Thermop... |
| Pvap | 28.25 | kPa | 424.04 | Thermop... |
| Pvap | 30.11 | kPa | 426.15 | Thermop... |
| Pvap | 32.01 | kPa | 428.14 | Thermop... |
| Pvap | 32.92 | kPa | 429.02 | Thermop... |
| Pvap | 34.05 | kPa | 430.17 | Thermop... |
| Pvap | 35.47 | kPa | 431.54 | Thermop... |
| Pvap | 37.20 | kPa | 433.17 | Thermop... |
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxaldehyde.
Sources
- Crippen Method
- Crippen Method
- Thermophysical properties of oxygenated thiophene derivatives: Experimental data and modelling
- McGowan Method
- NIST Webbook
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