- InChI
- InChI=1S/C10H15NOS/c1-8(2)5-6-11-10(12)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
- InChI Key
- VNFMHXIHXJIFRW-UHFFFAOYSA-N
- Formula
- C10H15NOS
- SMILES
- CC(C)CCNC(=O)c1cccs1
- Molecular Weight1
- 197.30
- 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 | 0.5629 | Relay (1.0) Calculated Property | |
| ΔfG° | 47.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -195.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.524 | Crippen Calculated Property | |
| McVol | 160.200 | ml/mol | McGowan Calculated Property |
| Pc | 2519.63 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1743.00 | NIST | |
| Tboil | 567.95 | K | Relay (1.0) Calculated Property |
| Tc | 775.49 | K | Relay (1.0) Calculated Property |
| Tfus | 313.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiophenecarboxamide, N-(3-methylbutyl)-.
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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