- InChI
- InChI=1S/C22H43NO/c1-3-5-7-9-11-16-20-23(19-15-10-8-6-4-2)22(24)21-17-13-12-14-18-21/h21H,3-20H2,1-2H3
- InChI Key
- ZDXRWYPNKWDLPT-UHFFFAOYSA-N
- Formula
- C22H43NO
- SMILES
-
CCCCCCCCN(CCCCCCC)C(=O)C1CCCCC
1 - Molecular Weight1
- 337.58
- 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 | 0.8887 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -563.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.55 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.726 | Crippen Calculated Property | |
| McVol | 321.530 | ml/mol | McGowan Calculated Property |
| Pc | 1065.18 | kPa | Joback Calculated Property |
| Inp | [2433.00; 2433.00] |
|
|
| Inp | 2433.00 | NIST | |
| Inp | 2433.00 | NIST | |
| Tboil | 637.16 | K | Relay (1.0) Calculated Property |
| Tc | 855.58 | K | Relay (1.0) Calculated Property |
| Tfus | 297.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.204 | 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 | [1040.50; 1154.48] | J/mol×K | [788.82; 975.74] |
|
| Cp,gas | 1040.50 | J/mol×K | 788.82 | Joback Calculated Property |
| Cp,gas | 1062.42 | J/mol×K | 819.97 | Joback Calculated Property |
| Cp,gas | 1083.10 | J/mol×K | 851.13 | Joback Calculated Property |
| Cp,gas | 1102.59 | J/mol×K | 882.28 | Joback Calculated Property |
| Cp,gas | 1120.95 | J/mol×K | 913.43 | Joback Calculated Property |
| Cp,gas | 1138.23 | J/mol×K | 944.59 | Joback Calculated Property |
| Cp,gas | 1154.48 | J/mol×K | 975.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N-heptyl-N-octyl-.
Sources
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