- InChI
- InChI=1S/C14H21NO/c1-3-12-15(4-2)14(16)11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
- InChI Key
- AGCSHYFZNTXKDR-UHFFFAOYSA-N
- Formula
- C14H21NO
- SMILES
- CCCN(CC)C(=O)CCc1ccccc1
- Molecular Weight1
- 219.32
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 161.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.878 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Inp | [1969.00; 1969.00] |
|
|
| Inp | 1969.00 | NIST | |
| Inp | 1969.00 | NIST | |
| Tboil | 612.71 | K | Joback Calculated Property |
| Tc | 812.07 | K | Joback Calculated Property |
| Tfus | 356.36 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.79; 592.92] | J/mol×K | [612.71; 812.07] |
|
| Cp,gas | 504.79 | J/mol×K | 612.71 | Joback Calculated Property |
| Cp,gas | 521.85 | J/mol×K | 645.94 | Joback Calculated Property |
| Cp,gas | 537.90 | J/mol×K | 679.16 | Joback Calculated Property |
| Cp,gas | 552.98 | J/mol×K | 712.39 | Joback Calculated Property |
| Cp,gas | 567.15 | J/mol×K | 745.62 | Joback Calculated Property |
| Cp,gas | 580.45 | J/mol×K | 778.84 | Joback Calculated Property |
| Cp,gas | 592.92 | J/mol×K | 812.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-propyl-.
Sources
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