- InChI
- InChI=1S/C23H45NO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)23(25)22-18-14-13-15-19-22/h22H,3-21H2,1-2H3
- InChI Key
- AVAMOAJVUFSTGN-UHFFFAOYSA-N
- Formula
- C23H45NO
- SMILES
-
CCCCCCCCN(CCCCCCCC)C(=O)C1CCCC
C1 - Molecular Weight1
- 351.61
- 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 | 0.9239 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -584.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.116 | Crippen Calculated Property | |
| McVol | 335.620 | ml/mol | McGowan Calculated Property |
| Pc | 1001.44 | kPa | Joback Calculated Property |
| Inp | 2529.00 | NIST | |
| Tboil | 643.69 | K | Relay (1.0) Calculated Property |
| Tc | 859.69 | K | Relay (1.0) Calculated Property |
| Tfus | 307.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.256 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.71; 1218.04] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.69560e+01 | |||
| Coefficient B | 2.40684e+00 | |||
| Coefficient C | -1.40230e-03 | |||
| Coefficient D | 3.00460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 471.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 602.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 718.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 822.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 913.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 992.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1062.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1122.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1173.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1218.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N,N-dioctyl-.
Sources
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