- InChI
- InChI=1S/C11H15NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
- InChI Key
- LWJNWXYSLBGWDU-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CC(C)(C)C(=O)Nc1ccccc1
- Molecular Weight1
- 177.24
- CAS
- 6625-74-7
- Other Names
-
- Pivalanilide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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 | 0.4911 | Relay (... Calculated Property | |
| ΔfG° | 117.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.70 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.67 | kJ/mol | Relay (... Calculated Property |
| IE | 8.26 | eV | Relay (... Calculated Property |
| log10WS | -2.50 | Relay (... Calculated Property | |
| logPoct/wat | 2.671 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Inp | 1465.00 | NIST | |
| Tboil | 527.66 | K | Relay (... Calculated Property |
| Tc | 770.17 | K | Relay (... Calculated Property |
| Tfus | 365.96 | K | Relay (... Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.54; 451.81] | J/mol×K | [578.57; 803.27] | 
|
| Cp,gas | 374.54 | J/mol×K | 578.57 | Joback Calculated Property |
| Cp,gas | 390.02 | J/mol×K | 616.02 | Joback Calculated Property |
| Cp,gas | 404.37 | J/mol×K | 653.47 | Joback Calculated Property |
| Cp,gas | 417.65 | J/mol×K | 690.92 | Joback Calculated Property |
| Cp,gas | 429.94 | J/mol×K | 728.37 | Joback Calculated Property |
| Cp,gas | 441.31 | J/mol×K | 765.82 | Joback Calculated Property |
| Cp,gas | 451.81 | J/mol×K | 803.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 2,2-dimethyl-N-phenyl-.
Sources
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