- InChI
- InChI=1S/C14H27NO3/c1-3-5-7-9-13(16)15-11-10-14(17)18-12-8-6-4-2/h3-12H2,1-2H3,(H,15,16)
- InChI Key
- ZJHMBJNSDPHOEA-UHFFFAOYSA-N
- Formula
- C14H27NO3
- SMILES
- CCCCCOC(=O)CCNC(=O)CCCCC
- Molecular Weight1
- 257.37
- 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° | -206.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 2.806 | Crippen Calculated Property | |
| McVol | 227.110 | ml/mol | McGowan Calculated Property |
| Pc | 1679.66 | kPa | Joback Calculated Property |
| Inp | 1972.00 | NIST | |
| Tboil | 700.05 | K | Joback Calculated Property |
| Tc | 879.07 | K | Joback Calculated Property |
| Tfus | 422.29 | K | Joback Calculated Property |
| Vc | 0.884 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [652.07; 734.07] | J/mol×K | [700.05; 879.07] | 
|
| Cp,gas | 652.07 | J/mol×K | 700.05 | Joback Calculated Property |
| Cp,gas | 667.62 | J/mol×K | 729.89 | Joback Calculated Property |
| Cp,gas | 682.40 | J/mol×K | 759.72 | Joback Calculated Property |
| Cp,gas | 696.42 | J/mol×K | 789.56 | Joback Calculated Property |
| Cp,gas | 709.69 | J/mol×K | 819.39 | Joback Calculated Property |
| Cp,gas | 722.24 | J/mol×K | 849.23 | Joback Calculated Property |
| Cp,gas | 734.07 | J/mol×K | 879.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-caproyl-, pentyl ester.
Sources
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