- InChI
- InChI=1S/C18H35NO/c1-3-4-5-6-7-8-9-13-16-19(2)18(20)17-14-11-10-12-15-17/h17H,3-16H2,1-2H3
- InChI Key
- FMCICJSORXIOHC-UHFFFAOYSA-N
- Formula
- C18H35NO
- SMILES
- CCCCCCCCCCN(C)C(=O)C1CCCCC1
- Molecular Weight1
- 281.48
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 | 0.7571 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.166 | Crippen Calculated Property | |
| McVol | 265.170 | ml/mol | McGowan Calculated Property |
| Pc | 1392.29 | kPa | Joback Calculated Property |
| Inp | [2171.00; 2171.00] |
|
|
| Inp | 2171.00 | NIST | |
| Inp | 2171.00 | NIST | |
| Tboil | 607.87 | K | Relay (1.0) Calculated Property |
| Tc | 823.85 | K | Relay (1.0) Calculated Property |
| Tfus | 305.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.994 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.64; 960.09] | 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 | -8.24110e+01 | |||
| Coefficient B | 1.93184e+00 | |||
| Coefficient C | -1.13030e-03 | |||
| Coefficient D | 2.40960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 563.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 645.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 718.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 782.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 837.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 884.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 925.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 960.09 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N-decyl-N-methyl-.
Sources
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