- InChI
- InChI=1S/C26H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-30-26(29)22-23-27-25(28)21-19-6-4-2/h3-24H2,1-2H3,(H,27,28)
- InChI Key
- JJJRVLCYDKJNHJ-UHFFFAOYSA-N
- Formula
- C26H51NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCNC(=O
)CCCCC - Molecular Weight1
- 425.69
- 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).
- 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° | -105.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -883.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.81 | kJ/mol | Joback Calculated Property |
| log10WS | -8.53 | Crippen Calculated Property | |
| logPoct/wat | 7.488 | Crippen Calculated Property | |
| McVol | 396.190 | ml/mol | McGowan Calculated Property |
| Pc | 775.05 | kPa | Joback Calculated Property |
| Tboil | 974.61 | K | Joback Calculated Property |
| Tc | 1203.54 | K | Joback Calculated Property |
| Tfus | 557.53 | K | Joback Calculated Property |
| Vc | 1.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1379.61; 1485.26] | J/mol×K | [974.61; 1203.54] | 
|
| Cp,gas | 1379.61 | J/mol×K | 974.61 | Joback Calculated Property |
| Cp,gas | 1401.13 | J/mol×K | 1012.77 | Joback Calculated Property |
| Cp,gas | 1420.99 | J/mol×K | 1050.92 | Joback Calculated Property |
| Cp,gas | 1439.25 | J/mol×K | 1089.08 | Joback Calculated Property |
| Cp,gas | 1455.99 | J/mol×K | 1127.23 | Joback Calculated Property |
| Cp,gas | 1471.30 | J/mol×K | 1165.39 | Joback Calculated Property |
| Cp,gas | 1485.26 | J/mol×K | 1203.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-caproyl-, heptadecyl ester.
Sources
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