- InChI
- InChI=1S/C13H10S2/c1-3-4-5-11-7-9-13(15-11)12-8-6-10(2)14-12/h3,6-9H,1H2,2H3
- InChI Key
- OZUJLEZCMIGWSN-UHFFFAOYSA-N
- Formula
- C13H10S2
- SMILES
- C=CC#Cc1ccc(-c2ccc(C)s2)s1
- Molecular Weight1
- 230.35
- 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 | 0.3520 | Relay (1.0) Calculated Property | |
| ΔfG° | 402.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 470.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.323 | Crippen Calculated Property | |
| McVol | 174.910 | ml/mol | McGowan Calculated Property |
| Pc | 2733.43 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1992.00; 1992.00] |
|
|
| Inp | 1992.00 | NIST | |
| Inp | 1992.00 | NIST | |
| Tboil | 588.22 | K | Relay (1.0) Calculated Property |
| Tc | 817.08 | K | Relay (1.0) Calculated Property |
| Tfus | 340.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5'-methyl-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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