- InChI
- InChI=1S/C8H17NO/c1-6(2)9-7(10)8(3,4)5/h6H,1-5H3,(H,9,10)
- InChI Key
- ZQDMMEWUKRJBFD-UHFFFAOYSA-N
- Formula
- C8H17NO
- SMILES
- CC(C)NC(=O)C(C)(C)C
- Molecular Weight1
- 143.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -374.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.557 | Crippen Calculated Property | |
| McVol | 135.130 | ml/mol | McGowan Calculated Property |
| Inp | [1016.00; 1016.00] |
|
|
| Inp | 1016.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Tboil | 439.62 | K | Relay (1.0) Calculated Property |
| Tfus | 278.14 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.37; 380.75] | J/mol×K | [483.01; 676.95] |
|
| Cp,gas | 305.37 | J/mol×K | 483.01 | Joback Calculated Property |
| Cp,gas | 319.78 | J/mol×K | 515.33 | Joback Calculated Property |
| Cp,gas | 333.41 | J/mol×K | 547.66 | Joback Calculated Property |
| Cp,gas | 346.29 | J/mol×K | 579.98 | Joback Calculated Property |
| Cp,gas | 358.45 | J/mol×K | 612.30 | Joback Calculated Property |
| Cp,gas | 369.93 | J/mol×K | 644.63 | Joback Calculated Property |
| Cp,gas | 380.75 | J/mol×K | 676.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-isopropyl-2,2-dimethyl.
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
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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