- InChI
- InChI=1S/C21H37NOS/c1-3-5-7-9-11-13-17-22(18-14-12-10-8-6-4-2)21(23)20-16-15-19-24-20/h15-16,19H,3-14,17-18H2,1-2H3
- InChI Key
- JKUXXIYXMXHWQH-UHFFFAOYSA-N
- Formula
- C21H37NOS
- SMILES
-
CCCCCCCCN(CCCCCCCC)C(=O)c1cccs
1 - Molecular Weight1
- 351.59
- 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 | 0.9566 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -381.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.911 | Crippen Calculated Property | |
| McVol | 315.190 | ml/mol | McGowan Calculated Property |
| Pc | 1129.21 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2607.00; 2607.00] |
|
|
| Inp | 2607.00 | NIST | |
| Inp | 2607.00 | NIST | |
| Tboil | 652.31 | K | Relay (1.0) Calculated Property |
| Tc | 854.08 | K | Relay (1.0) Calculated Property |
| Tfus | 306.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.181 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene-2-carboxamide, N,N-dioctyl-.
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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