- InChI
- InChI=1S/C12H11NO2S/c1-15-10-6-4-9(5-7-10)13-12(14)11-3-2-8-16-11/h2-8H,1H3,(H,13,14)
- InChI Key
- DTHZTXGJRSLGFS-UHFFFAOYSA-N
- Formula
- C12H11NO2S
- SMILES
- COc1ccc(NC(=O)c2cccs2)cc1
- Molecular Weight1
- 233.29
- CAS
- 64419-14-3
- Other Names
-
- Thiophene-2-carboxamide, N-(4-methoxyphenyl)-
- 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 | 0.6413 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -112.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.009 | Crippen Calculated Property | |
| McVol | 170.490 | ml/mol | McGowan Calculated Property |
| Pc | 4068.95 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2217.00 | NIST | |
| Tboil | 642.24 | K | Relay (1.0) Calculated Property |
| Tc | 911.22 | K | Relay (1.0) Calculated Property |
| Tfus | 427.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.607 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-(4-Methoxyphenyl)-thiophene-2-carboxamide.
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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