- InChI
- InChI=1S/C17H27NO2/c1-3-5-7-8-14-20-17(19)15-9-11-16(12-10-15)18-13-6-4-2/h9-12,18H,3-8,13-14H2,1-2H3
- InChI Key
- FWMKKWXXSYIKQG-UHFFFAOYSA-N
- Formula
- C17H27NO2
- SMILES
- CCCCCCOC(=O)c1ccc(NCCCC)cc1
- Molecular Weight1
- 277.40
- 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° | 50.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 4.636 | Crippen Calculated Property | |
| McVol | 244.050 | ml/mol | McGowan Calculated Property |
| Pc | 1632.49 | kPa | Joback Calculated Property |
| Inp | [2545.00; 2575.00] |
|
|
| Inp | 2545.00 | NIST | |
| Inp | 2558.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Tboil | 746.48 | K | Joback Calculated Property |
| Tc | 942.49 | K | Joback Calculated Property |
| Tfus | 445.11 | K | Joback Calculated Property |
| Vc | 0.939 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.05; 800.00] | J/mol×K | [746.48; 942.49] |
|
| Cp,gas | 714.05 | J/mol×K | 746.48 | Joback Calculated Property |
| Cp,gas | 730.74 | J/mol×K | 779.15 | Joback Calculated Property |
| Cp,gas | 746.44 | J/mol×K | 811.82 | Joback Calculated Property |
| Cp,gas | 761.19 | J/mol×K | 844.48 | Joback Calculated Property |
| Cp,gas | 775.02 | J/mol×K | 877.15 | Joback Calculated Property |
| Cp,gas | 787.94 | J/mol×K | 909.82 | Joback Calculated Property |
| Cp,gas | 800.00 | J/mol×K | 942.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl p-butylaminobenzoate.
Sources
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