- InChI
- InChI=1S/C16H25NO2/c1-3-5-7-13-19-16(18)14-8-10-15(11-9-14)17-12-6-4-2/h8-11,17H,3-7,12-13H2,1-2H3
- InChI Key
- SVTWCZISAMAZLC-UHFFFAOYSA-N
- Formula
- C16H25NO2
- SMILES
- CCCCCOC(=O)c1ccc(NCCCC)cc1
- Molecular Weight1
- 263.38
- 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° | 42.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 4.246 | Crippen Calculated Property | |
| McVol | 229.960 | ml/mol | McGowan Calculated Property |
| Pc | 1766.90 | kPa | Joback Calculated Property |
| Inp | [2445.00; 2475.00] |
|
|
| Inp | 2445.00 | NIST | |
| Inp | 2458.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Tboil | 723.60 | K | Joback Calculated Property |
| Tc | 920.93 | K | Joback Calculated Property |
| Tfus | 433.84 | K | Joback Calculated Property |
| Vc | 0.882 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.90; 742.41] | J/mol×K | [723.60; 920.93] |
|
| Cp,gas | 657.90 | J/mol×K | 723.60 | Joback Calculated Property |
| Cp,gas | 674.29 | J/mol×K | 756.49 | Joback Calculated Property |
| Cp,gas | 689.72 | J/mol×K | 789.38 | Joback Calculated Property |
| Cp,gas | 704.22 | J/mol×K | 822.27 | Joback Calculated Property |
| Cp,gas | 717.82 | J/mol×K | 855.16 | Joback Calculated Property |
| Cp,gas | 730.54 | J/mol×K | 888.04 | Joback Calculated Property |
| Cp,gas | 742.41 | J/mol×K | 920.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Amyl p-butylaminobenzoate.
Sources
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