- InChI
- InChI=1S/C13H13NO2S2/c1-2-7-14(12(15)10-5-3-8-17-10)13(16)11-6-4-9-18-11/h3-6,8-9H,2,7H2,1H3
- InChI Key
- IZMYLFLEHKALSX-UHFFFAOYSA-N
- Formula
- C13H13NO2S2
- SMILES
- CCCN(C(=O)c1cccs1)C(=O)c1cccs1
- Molecular Weight1
- 279.38
- 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 | 0.6480 | Relay (1.0) Calculated Property | |
| ΔfG° | 80.06 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -145.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.502 | Crippen Calculated Property | |
| McVol | 200.930 | ml/mol | McGowan Calculated Property |
| Pc | 2249.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2173.00; 2173.00] |
|
|
| Inp | 2173.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Tboil | 636.75 | K | Relay (1.0) Calculated Property |
| Tc | 876.09 | K | Relay (1.0) Calculated Property |
| Tfus | 345.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.716 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxamide, N-propyl-N-(2-thiophenecarbonyl)-.
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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