- InChI
- InChI=1S/C29H51NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-30(4-2)29(31)26-25-28-23-20-19-21-24-28/h19-21,23-24H,3-18,22,25-27H2,1-2H3
- InChI Key
- YHQBDFVBMKSPOK-UHFFFAOYSA-N
- Formula
- C29H51NO
- SMILES
-
CCCCCCCCCCCCCCCCCCN(CC)C(=O)CC
c1ccccc1 - Molecular Weight1
- 429.72
- 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° | 287.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.21 | kJ/mol | Joback Calculated Property |
| log10WS | -9.41 | Crippen Calculated Property | |
| logPoct/wat | 8.729 | Crippen Calculated Property | |
| McVol | 407.260 | ml/mol | McGowan Calculated Property |
| Pc | 767.34 | kPa | Joback Calculated Property |
| Inp | [1837.00; 1837.00] |
|
|
| Inp | 1837.00 | NIST | |
| Inp | 1837.00 | NIST | |
| Tboil | 955.91 | K | Joback Calculated Property |
| Tc | 1171.95 | K | Joback Calculated Property |
| Tfus | 525.41 | K | Joback Calculated Property |
| Vc | 1.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1397.32; 1510.67] | J/mol×K | [955.91; 1171.95] |
|
| Cp,gas | 1397.32 | J/mol×K | 955.91 | Joback Calculated Property |
| Cp,gas | 1419.26 | J/mol×K | 991.92 | Joback Calculated Property |
| Cp,gas | 1439.83 | J/mol×K | 1027.92 | Joback Calculated Property |
| Cp,gas | 1459.15 | J/mol×K | 1063.93 | Joback Calculated Property |
| Cp,gas | 1477.32 | J/mol×K | 1099.94 | Joback Calculated Property |
| Cp,gas | 1494.46 | J/mol×K | 1135.94 | Joback Calculated Property |
| Cp,gas | 1510.67 | J/mol×K | 1171.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-octadecyl-.
Sources
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