- InChI
- InChI=1S/C14H24S/c1-3-5-7-8-10-14-12-11-13(15-14)9-6-4-2/h11-12H,3-10H2,1-2H3
- InChI Key
- ALQRWUZNMBDWAU-UHFFFAOYSA-N
- Formula
- C14H24S
- SMILES
- CCCCCCc1ccc(CCCC)s1
- Molecular Weight1
- 224.41
- CAS
- 4806-12-6
- Other Names
-
- 2-Butyl-5-hexylthiophene
- 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.
- 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 | 0.6303 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -120.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.214 | Crippen Calculated Property | |
| McVol | 205.010 | ml/mol | McGowan Calculated Property |
| Pc | 1900.84 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1679.00; 1679.00] |
|
|
| Inp | 1679.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Tboil | 550.98 | K | Relay (1.0) Calculated Property |
| Tc | 743.69 | K | Relay (1.0) Calculated Property |
| Tfus | 262.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-butyl-5-hexyl-.
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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