- InChI
- InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)
- InChI Key
- VUNOFAIHSALQQH-UHFFFAOYSA-N
- Formula
- C13H25NO
- SMILES
- CCNC(=O)C1CC(C)CCC1C(C)C
- Molecular Weight1
- 211.35
- CAS
- 39711-79-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 26.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.42 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.831 | Crippen Calculated Property | |
| McVol | 194.720 | ml/mol | McGowan Calculated Property |
| Tboil | 538.17 | K | Relay (1.0) Calculated Property |
| Tc | 765.04 | K | Relay (1.0) Calculated Property |
| Tfus | 361.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [264.47; 714.85] | 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 | -5.81890e+01 | |||
| Coefficient B | 1.36208e+00 | |||
| Coefficient C | -6.86700e-04 | |||
| Coefficient D | 9.76600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 264.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 342.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 412.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 474.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 530.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 579.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 622.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 658.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 689.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 714.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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