- InChI
- InChI=1S/C10H14OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
- InChI Key
- CVDZQNUYYOLFOO-UHFFFAOYSA-N
- Formula
- C10H14OS
- SMILES
- CCCCCC(=O)c1cccs1
- Molecular Weight1
- 182.28
- CAS
- 26447-67-6
- Other Names
-
- Ketone, pentyl 2-thienyl
- 2-Hexanoylthiophene
- 1-(2-Thienyl)-1-hexanone
- Thiophene, 2-hexanoyl
- 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).
- 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 | 0.5212 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -169.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.511 | Crippen Calculated Property | |
| McVol | 150.220 | ml/mol | McGowan Calculated Property |
| Pc | 2553.64 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 528.56 | K | Relay (1.0) Calculated Property |
| Tc | 730.90 | K | Relay (1.0) Calculated Property |
| Tfus | 289.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanone, 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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