- InChI
- InChI=1S/C12H19NOS/c1-4-13(9-10(2)3)12(14)8-11-6-5-7-15-11/h5-7,10H,4,8-9H2,1-3H3
- InChI Key
- KPPDNHRRMNKQFD-UHFFFAOYSA-N
- Formula
- C12H19NOS
- SMILES
- CCN(CC(C)C)C(=O)Cc1cccs1
- Molecular Weight1
- 225.35
- 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 | 0.5393 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -211.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.795 | Crippen Calculated Property | |
| McVol | 188.380 | ml/mol | McGowan Calculated Property |
| Pc | 2082.33 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1935.00; 1935.00] |
|
|
| Inp | 1935.00 | NIST | |
| Inp | 1935.00 | NIST | |
| Tboil | 560.49 | K | Relay (1.0) Calculated Property |
| Tc | 759.43 | K | Relay (1.0) Calculated Property |
| Tfus | 291.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2-(2-thiophenyl)-N-ethyl-N-isobutyl-.
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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