- InChI
- InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
- InChI Key
- YXHIINNJOGKPLF-UHFFFAOYSA-N
- Formula
- C8H10OS
- SMILES
- CCCC(=O)c1cccs1
- Molecular Weight1
- 154.23
- CAS
- 5333-83-5
- Other Names
-
- Ketone, propyl 2-thienyl
- 2-Butyrylthiophene
- 1-(2-Thienyl)-1-butanone
- n-Propyl 2-thienyl ketone
- 2-n-Butyrylthiophene
- 2-Butanoylthiophene
- 1-(2-thienyl)butan-1-one
- Thiophene, 2-butanoyl
- 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).
- 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 | 0.4344 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -128.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.731 | Crippen Calculated Property | |
| McVol | 122.040 | ml/mol | McGowan Calculated Property |
| Pc | 3068.09 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1252.00; 1252.00] |
|
|
| Inp | 1252.00 | NIST | |
| Inp | 1252.00 | NIST | |
| I | [1894.00; 1894.00] |
|
|
| I | 1894.00 | NIST | |
| I | 1894.00 | NIST | |
| Tboil | 498.29 | K | Relay (1.0) Calculated Property |
| Tc | 700.11 | K | Relay (1.0) Calculated Property |
| Tfus | 283.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanone, 1-(2-thienyl)-.
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
- McGowan Method
- NIST Webbook
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