- InChI
- InChI=1S/C13H21NOS/c1-2-3-4-5-6-9-14-13(15)11-12-8-7-10-16-12/h7-8,10H,2-6,9,11H2,1H3,(H,14,15)
- InChI Key
- IVSBQQHOYTXQPP-UHFFFAOYSA-N
- Formula
- C13H21NOS
- SMILES
- CCCCCCCNC(=O)Cc1cccs1
- Molecular Weight1
- 239.38
- 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 | 0.6953 | Relay (1.0) Calculated Property | |
| ΔfG° | 71.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -253.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.377 | Crippen Calculated Property | |
| McVol | 202.470 | ml/mol | McGowan Calculated Property |
| Pc | 2097.97 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2020.00; 2020.00] |
|
|
| Inp | 2020.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Tboil | 586.86 | K | Relay (1.0) Calculated Property |
| Tc | 813.28 | K | Relay (1.0) Calculated Property |
| Tfus | 320.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.737 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Thiopheneacetamide, N-heptyl-.
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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