- InChI
- InChI=1S/C15H21NO3/c1-18-12-8-9-14(19-2)13(10-12)16-15(17)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,16,17)
- InChI Key
- BVAITUYABNDCPN-UHFFFAOYSA-N
- Formula
- C15H21NO3
- SMILES
- COc1ccc(OC)c(NC(=O)C2CCCCC2)c1
- Molecular Weight1
- 263.33
- 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° | -56.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 210.880 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| Inp | [2226.00; 2226.00] |
|
|
| Inp | 2226.00 | NIST | |
| Inp | 2226.00 | NIST | |
| Tboil | 747.67 | K | Joback Calculated Property |
| Tc | 974.98 | K | Joback Calculated Property |
| Tfus | 464.70 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.00; 709.99] | J/mol×K | [747.67; 974.98] |
|
| Cp,gas | 624.00 | J/mol×K | 747.67 | Joback Calculated Property |
| Cp,gas | 641.68 | J/mol×K | 785.56 | Joback Calculated Property |
| Cp,gas | 658.00 | J/mol×K | 823.44 | Joback Calculated Property |
| Cp,gas | 672.98 | J/mol×K | 861.33 | Joback Calculated Property |
| Cp,gas | 686.63 | J/mol×K | 899.21 | Joback Calculated Property |
| Cp,gas | 698.96 | J/mol×K | 937.10 | Joback Calculated Property |
| Cp,gas | 709.99 | J/mol×K | 974.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N-(2,5-dimethoxyphenyl)-.
Sources
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