- InChI
- InChI=1S/C21H35NO/c1-3-5-6-7-8-9-10-14-19-22(4-2)21(23)18-17-20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3
- InChI Key
- DLPURACGPAHEDH-UHFFFAOYSA-N
- Formula
- C21H35NO
- SMILES
- CCCCCCCCCCN(CC)C(=O)CCc1ccccc1
- Molecular Weight1
- 317.51
- 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 | 0.8894 | Relay (1.0) Calculated Property | |
| ΔfG° | 220.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.608 | Crippen Calculated Property | |
| McVol | 294.540 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Inp | 2688.00 | NIST | |
| Tboil | 629.21 | K | Relay (1.0) Calculated Property |
| Tc | 842.20 | K | Relay (1.0) Calculated Property |
| Tfus | 283.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.103 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.71; 995.47] | J/mol×K | [772.87; 962.42] | 
|
| Cp,gas | 896.71 | J/mol×K | 772.87 | Joback Calculated Property |
| Cp,gas | 915.67 | J/mol×K | 804.46 | Joback Calculated Property |
| Cp,gas | 933.55 | J/mol×K | 836.05 | Joback Calculated Property |
| Cp,gas | 950.42 | J/mol×K | 867.65 | Joback Calculated Property |
| Cp,gas | 966.33 | J/mol×K | 899.24 | Joback Calculated Property |
| Cp,gas | 981.32 | J/mol×K | 930.83 | Joback Calculated Property |
| Cp,gas | 995.47 | J/mol×K | 962.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-decyl-.
Sources
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