- InChI
- InChI=1S/C14H27NO/c1-4-5-10-15(11-12(2)3)14(16)13-8-6-7-9-13/h12-13H,4-11H2,1-3H3
- InChI Key
- WCYABKBLHPHKAD-UHFFFAOYSA-N
- Formula
- C14H27NO
- SMILES
- CCCCN(CC(C)C)C(=O)C1CCCC1
- Molecular Weight1
- 225.37
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ΔfG° | 82.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 3.461 | Crippen Calculated Property | |
| McVol | 208.810 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | [1773.00; 1773.00] |
|
|
| Inp | 1773.00 | NIST | |
| Inp | 1773.00 | NIST | |
| Tboil | 600.87 | K | Joback Calculated Property |
| Tc | 792.00 | K | Joback Calculated Property |
| Tfus | 325.84 | K | Joback Calculated Property |
| Vc | 0.778 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.34; 673.06] | J/mol×K | [600.87; 792.00] |
|
| Cp,gas | 567.34 | J/mol×K | 600.87 | Joback Calculated Property |
| Cp,gas | 587.55 | J/mol×K | 632.72 | Joback Calculated Property |
| Cp,gas | 606.67 | J/mol×K | 664.58 | Joback Calculated Property |
| Cp,gas | 624.74 | J/mol×K | 696.43 | Joback Calculated Property |
| Cp,gas | 641.80 | J/mol×K | 728.29 | Joback Calculated Property |
| Cp,gas | 657.89 | J/mol×K | 760.14 | Joback Calculated Property |
| Cp,gas | 673.06 | J/mol×K | 792.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxamide, N-butyl-N-isobutyl-.
Sources
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