- InChI
- InChI=1S/C12H8S2/c1-2-3-5-10-7-8-12(14-10)11-6-4-9-13-11/h2,4,6-9H,1H2
- InChI Key
- GWAIEOFEEWQORO-UHFFFAOYSA-N
- Formula
- C12H8S2
- SMILES
- C=CC#Cc1ccc(-c2cccs2)s1
- Molecular Weight1
- 216.32
- CAS
- 1134-61-8
- 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 | 0.3109 | Relay (1.0) Calculated Property | |
| ΔfG° | 418.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 525.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.014 | Crippen Calculated Property | |
| McVol | 160.820 | ml/mol | McGowan Calculated Property |
| Pc | 3249.60 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1892.00; 1941.00] |
|
|
| Inp | 1892.00 | NIST | |
| Inp | 1935.10 | NIST | |
| Inp | 1941.00 | NIST | |
| Inp | 1935.10 | NIST | |
| Tboil | 576.08 | K | Relay (1.0) Calculated Property |
| Tc | 813.76 | K | Relay (1.0) Calculated Property |
| Tfus | 336.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-(3-buten-1-ynyl)-2,2'-bithienyl.
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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