- InChI
- InChI=1S/C13H8S2/c1-2-3-4-6-11-8-9-13(15-11)12-7-5-10-14-12/h5,7-10H,1H3
- InChI Key
- WCCMITHHMNKYNC-UHFFFAOYSA-N
- Formula
- C13H8S2
- SMILES
- CC#CC#Cc1ccc(-c2cccs2)s1
- Molecular Weight1
- 228.33
- CAS
- 61102-17-8
- 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 | 0.2702 | Relay (1.0) Calculated Property | |
| ΔfG° | 538.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 672.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.851 | Crippen Calculated Property | |
| McVol | 170.610 | ml/mol | McGowan Calculated Property |
| Pc | 3041.19 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2068.00; 2068.00] |
|
|
| Inp | 2068.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Tboil | 598.39 | K | Relay (1.0) Calculated Property |
| Tc | 821.21 | K | Relay (1.0) Calculated Property |
| Tfus | 377.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-(Penta-1,3-diyn-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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