- InChI
- InChI=1S/C8H10OS/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
- InChI Key
- ROPOMQPSWIOWSN-UHFFFAOYSA-N
- Formula
- C8H10OS
- SMILES
- CCC(=O)c1ccc(C)s1
- Molecular Weight1
- 154.23
- CAS
- 59303-13-8
- Other Names
-
- 2-Methyl-5-propionylthiophene
- 1-(2-Methyl-5-thienyI)-1-propanone
- Thiophene, 2-methyl-5-propionyl
- 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 | 0.4308 | Relay (1.0) Calculated Property | |
| ΔfG° | -39.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -143.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.649 | Crippen Calculated Property | |
| McVol | 122.040 | ml/mol | McGowan Calculated Property |
| Pc | 3109.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1280.00 | NIST | |
| I | [1900.00; 1900.00] |
|
|
| I | 1900.00 | NIST | |
| I | 1900.00 | NIST | |
| Tboil | 502.56 | K | Relay (1.0) Calculated Property |
| Tc | 701.13 | K | Relay (1.0) Calculated Property |
| Tfus | 337.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanone, 1-(5-methyl-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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