- InChI
- InChI=1S/C18H29NO/c1-3-5-6-7-11-16-19(4-2)18(20)15-14-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3
- InChI Key
- MLHKVYAOJSCULK-UHFFFAOYSA-N
- Formula
- C18H29NO
- SMILES
- CCCCCCCN(CC)C(=O)CCc1ccccc1
- Molecular Weight1
- 275.43
- 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 | 0.7747 | Relay (1.0) Calculated Property | |
| ΔfG° | 194.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.438 | Crippen Calculated Property | |
| McVol | 252.270 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | [2378.00; 2378.00] |
|
|
| Inp | 2378.00 | NIST | |
| Inp | 2378.00 | NIST | |
| Tboil | 607.99 | K | Relay (1.0) Calculated Property |
| Tc | 817.56 | K | Relay (1.0) Calculated Property |
| Tfus | 272.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [722.05; 817.18] | J/mol×K | [704.23; 895.36] |
|
| Cp,gas | 722.05 | J/mol×K | 704.23 | Joback Calculated Property |
| Cp,gas | 740.34 | J/mol×K | 736.09 | Joback Calculated Property |
| Cp,gas | 757.59 | J/mol×K | 767.94 | Joback Calculated Property |
| Cp,gas | 773.85 | J/mol×K | 799.80 | Joback Calculated Property |
| Cp,gas | 789.17 | J/mol×K | 831.65 | Joback Calculated Property |
| Cp,gas | 803.60 | J/mol×K | 863.51 | Joback Calculated Property |
| Cp,gas | 817.18 | J/mol×K | 895.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-heptyl-.
Sources
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