- InChI
- InChI=1S/C15H12OS2/c1-3-4-5-12-6-8-14(17-12)15-9-7-13(18-15)10-11(2)16/h3,6-9H,1,10H2,2H3
- InChI Key
- YINMMFXHFCEWCK-UHFFFAOYSA-N
- Formula
- C15H12OS2
- SMILES
-
C=CC#Cc1ccc(-c2ccc(CC(C)=O)s2)
s1 - Molecular Weight1
- 272.38
- 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 | 0.4823 | Relay (1.0) Calculated Property | |
| ΔfG° | 318.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 291.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.146 | Crippen Calculated Property | |
| McVol | 204.660 | ml/mol | McGowan Calculated Property |
| Pc | 2437.65 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2373.00 | NIST | |
| Tboil | 645.56 | K | Relay (1.0) Calculated Property |
| Tc | 875.59 | K | Relay (1.0) Calculated Property |
| Tfus | 366.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-methylaceto-5'-(3-buten-1-ynil)-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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