- InChI
- InChI=1S/C22H45NO/c1-4-7-10-13-16-19-22(24)23(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3
- InChI Key
- YNQDXMVJQLCEHI-UHFFFAOYSA-N
- Formula
- C22H45NO
- SMILES
- CCCCCCCC(=O)N(CCCCCCC)CCCCCCC
- Molecular Weight1
- 339.60
- 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° | 116.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.36 | kJ/mol | Joback Calculated Property |
| log10WS | -7.38 | Crippen Calculated Property | |
| logPoct/wat | 7.116 | Crippen Calculated Property | |
| McVol | 332.390 | ml/mol | McGowan Calculated Property |
| Pc | 935.77 | kPa | Joback Calculated Property |
| Inp | [2401.00; 2401.00] |
|
|
| Inp | 2401.00 | NIST | |
| Inp | 2401.00 | NIST | |
| Tboil | 769.07 | K | Joback Calculated Property |
| Tc | 943.91 | K | Joback Calculated Property |
| Tfus | 420.10 | K | Joback Calculated Property |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.20; 1152.33] | J/mol×K | [769.07; 943.91] |
|
| Cp,gas | 1041.20 | J/mol×K | 769.07 | Joback Calculated Property |
| Cp,gas | 1062.13 | J/mol×K | 798.21 | Joback Calculated Property |
| Cp,gas | 1082.04 | J/mol×K | 827.35 | Joback Calculated Property |
| Cp,gas | 1100.97 | J/mol×K | 856.49 | Joback Calculated Property |
| Cp,gas | 1118.97 | J/mol×K | 885.63 | Joback Calculated Property |
| Cp,gas | 1136.08 | J/mol×K | 914.77 | Joback Calculated Property |
| Cp,gas | 1152.33 | J/mol×K | 943.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanamide, N,N-diheptyl-.
Sources
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