- InChI
- InChI=1S/C21H41NO3/c1-3-5-7-8-9-10-11-12-13-15-19-25-21(24)17-18-22-20(23)16-14-6-4-2/h3-19H2,1-2H3,(H,22,23)
- InChI Key
- IMSGXGLJUNOYDQ-UHFFFAOYSA-N
- Formula
- C21H41NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CCNC(=O)CCCC
C - Molecular Weight1
- 355.56
- 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° | -147.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.68 | kJ/mol | Joback Calculated Property |
| log10WS | -6.44 | Crippen Calculated Property | |
| logPoct/wat | 5.537 | Crippen Calculated Property | |
| McVol | 325.740 | ml/mol | McGowan Calculated Property |
| Pc | 1032.57 | kPa | Joback Calculated Property |
| Inp | 2682.00 | NIST | |
| Tboil | 860.21 | K | Joback Calculated Property |
| Tc | 1053.29 | K | Joback Calculated Property |
| Tfus | 501.18 | K | Joback Calculated Property |
| Vc | 1.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1063.60; 1158.63] | J/mol×K | [860.21; 1053.29] | 
|
| Cp,gas | 1063.60 | J/mol×K | 860.21 | Joback Calculated Property |
| Cp,gas | 1082.15 | J/mol×K | 892.39 | Joback Calculated Property |
| Cp,gas | 1099.57 | J/mol×K | 924.57 | Joback Calculated Property |
| Cp,gas | 1115.89 | J/mol×K | 956.75 | Joback Calculated Property |
| Cp,gas | 1131.16 | J/mol×K | 988.93 | Joback Calculated Property |
| Cp,gas | 1145.39 | J/mol×K | 1021.11 | Joback Calculated Property |
| Cp,gas | 1158.63 | J/mol×K | 1053.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-caproyl-, dodecyl ester.
Sources
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