- InChI
- InChI=1S/C18H23NO2S2/c1-2-3-4-5-6-7-12-19(17(20)15-10-8-13-22-15)18(21)16-11-9-14-23-16/h8-11,13-14H,2-7,12H2,1H3
- InChI Key
- KRSXWWXGZFJEMF-UHFFFAOYSA-N
- Formula
- C18H23NO2S2
- SMILES
-
CCCCCCCCN(C(=O)c1cccs1)C(=O)c1
cccs1 - Molecular Weight1
- 349.51
- 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 | 0.8591 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -256.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.453 | Crippen Calculated Property | |
| McVol | 271.380 | ml/mol | McGowan Calculated Property |
| Pc | 1552.38 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2685.00; 2685.00] |
|
|
| Inp | 2685.00 | NIST | |
| Inp | 2685.00 | NIST | |
| Tboil | 671.17 | K | Relay (1.0) Calculated Property |
| Tc | 917.14 | K | Relay (1.0) Calculated Property |
| Tfus | 327.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.987 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxamide, N-octyl-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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