- InChI
- InChI=1S/C21H41NO/c1-3-5-7-9-14-18-22(19-15-10-8-6-4-2)21(23)20-16-12-11-13-17-20/h20H,3-19H2,1-2H3
- InChI Key
- TYJVMSHKYADCAZ-UHFFFAOYSA-N
- Formula
- C21H41NO
- SMILES
- CCCCCCCN(CCCCCCC)C(=O)C1CCCCC1
- Molecular Weight1
- 323.56
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.8533 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -541.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.20 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.336 | Crippen Calculated Property | |
| McVol | 307.440 | ml/mol | McGowan Calculated Property |
| Pc | 1135.20 | kPa | Joback Calculated Property |
| Inp | [2334.00; 2334.00] |
|
|
| Inp | 2334.00 | NIST | |
| Inp | 2334.00 | NIST | |
| Tboil | 630.58 | K | Relay (1.0) Calculated Property |
| Tc | 845.25 | K | Relay (1.0) Calculated Property |
| Tfus | 300.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.146 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.30; 1091.66] | J/mol×K | [765.94; 951.93] |
|
| Cp,gas | 978.30 | J/mol×K | 765.94 | Joback Calculated Property |
| Cp,gas | 1000.06 | J/mol×K | 796.94 | Joback Calculated Property |
| Cp,gas | 1020.61 | J/mol×K | 827.94 | Joback Calculated Property |
| Cp,gas | 1040.00 | J/mol×K | 858.93 | Joback Calculated Property |
| Cp,gas | 1058.27 | J/mol×K | 889.93 | Joback Calculated Property |
| Cp,gas | 1075.47 | J/mol×K | 920.93 | Joback Calculated Property |
| Cp,gas | 1091.66 | J/mol×K | 951.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N,N-diheptyl-.
Sources
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