- InChI
- InChI=1S/C13H10S2/c1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12/h2-3,5,7-10H,1H3/b3-2+
- InChI Key
- FEESEVYIPPQXKI-NSCUHMNNSA-N
- Formula
- C13H10S2
- SMILES
- CC=CC#Cc1ccc(-c2cccs2)s1
- Molecular Weight1
- 230.35
- CAS
- 129050-92-6
- 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 | 0.3374 | Relay (1.0) Calculated Property | |
| ΔfG° | 409.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 474.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.404 | Crippen Calculated Property | |
| McVol | 174.910 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2093.90; 2093.90] |
|
|
| Inp | 2093.90 | NIST | |
| Inp | 2093.90 | NIST | |
| Tboil | 595.52 | K | Relay (1.0) Calculated Property |
| Tc | 823.02 | K | Relay (1.0) Calculated Property |
| Tfus | 342.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.607 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![5-[(3Z)-Pent-3-en-1-yn-1-yl]-2,2'-bithiophene.](data:image/png;base64,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)
Find more compounds similar to 5-(Pent-3-en-1-yn-1-yl)-2,2'-bithiophene.
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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