- InChI
- InChI=1S/C15H17NO2S2/c1-2-3-4-9-16(14(17)12-7-5-10-19-12)15(18)13-8-6-11-20-13/h5-8,10-11H,2-4,9H2,1H3
- InChI Key
- OFCLUQWUWOGCBJ-UHFFFAOYSA-N
- Formula
- C15H17NO2S2
- SMILES
-
CCCCCN(C(=O)c1cccs1)C(=O)c1ccc
s1 - Molecular Weight1
- 307.43
- 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 | 0.7322 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -190.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.282 | Crippen Calculated Property | |
| McVol | 229.110 | ml/mol | McGowan Calculated Property |
| Pc | 1926.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2367.00; 2367.00] |
|
|
| Inp | 2367.00 | NIST | |
| Inp | 2367.00 | NIST | |
| Tboil | 650.05 | K | Relay (1.0) Calculated Property |
| Tc | 894.71 | K | Relay (1.0) Calculated Property |
| Tfus | 331.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.822 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxamide, N-pentyl-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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