- InChI
- InChI=1S/C15H23NO/c1-3-5-13-16(4-2)15(17)12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3
- InChI Key
- KLMCBOHERMDZAN-UHFFFAOYSA-N
- Formula
- C15H23NO
- SMILES
- CCCCN(CC)C(=O)CCc1ccccc1
- Molecular Weight1
- 233.35
- 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 | 0.6520 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.268 | Crippen Calculated Property | |
| McVol | 210.000 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | 2033.00 | NIST | |
| Tboil | 580.48 | K | Relay (1.0) Calculated Property |
| Tc | 785.73 | K | Relay (1.0) Calculated Property |
| Tfus | 264.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.20; 647.49] | J/mol×K | [635.59; 832.38] | 
|
| Cp,gas | 557.20 | J/mol×K | 635.59 | Joback Calculated Property |
| Cp,gas | 574.64 | J/mol×K | 668.39 | Joback Calculated Property |
| Cp,gas | 591.06 | J/mol×K | 701.19 | Joback Calculated Property |
| Cp,gas | 606.51 | J/mol×K | 733.98 | Joback Calculated Property |
| Cp,gas | 621.04 | J/mol×K | 766.78 | Joback Calculated Property |
| Cp,gas | 634.68 | J/mol×K | 799.58 | Joback Calculated Property |
| Cp,gas | 647.49 | J/mol×K | 832.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-butyl-.
Sources
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