- InChI
- InChI=1S/C19H33NOS/c1-3-5-7-9-11-15-20(16-12-10-8-6-4-2)19(21)18-14-13-17-22-18/h13-14,17H,3-12,15-16H2,1-2H3
- InChI Key
- WEZSCFLGRFFMGD-UHFFFAOYSA-N
- Formula
- C19H33NOS
- SMILES
- CCCCCCCN(CCCCCCC)C(=O)c1cccs1
- Molecular Weight1
- 323.54
- 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 | 0.8847 | Relay (1.0) Calculated Property | |
| ΔfG° | 153.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -337.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.131 | Crippen Calculated Property | |
| McVol | 287.010 | ml/mol | McGowan Calculated Property |
| Pc | 1311.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2406.00; 2406.00] |
|
|
| Inp | 2406.00 | NIST | |
| Inp | 2406.00 | NIST | |
| Tboil | 639.02 | K | Relay (1.0) Calculated Property |
| Tc | 839.38 | K | Relay (1.0) Calculated Property |
| Tfus | 300.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene-2-carboxamide, N,N-diheptyl-.
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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