- InChI
- InChI=1S/C21H39NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-25-20(23)16-17-22-21(24)26-18-4-2/h4H,2-3,5-19H2,1H3,(H,22,24)
- InChI Key
- GSWSKDQNNCXWKF-UHFFFAOYSA-N
- Formula
- C21H39NO4
- SMILES
-
C=CCOC(=O)NCCC(=O)OCCCCCCCCCCC
CCC - Molecular Weight1
- 369.54
- 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° | -164.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 5.533 | Crippen Calculated Property | |
| McVol | 327.310 | ml/mol | McGowan Calculated Property |
| Pc | 1049.37 | kPa | Joback Calculated Property |
| Inp | 2667.00 | NIST | |
| Tboil | 879.31 | K | Joback Calculated Property |
| Tc | 1076.53 | K | Joback Calculated Property |
| Tfus | 521.65 | K | Joback Calculated Property |
| Vc | 1.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.77; 1155.96] | J/mol×K | [879.31; 1076.53] | 
|
| Cp,gas | 1066.77 | J/mol×K | 879.31 | Joback Calculated Property |
| Cp,gas | 1084.51 | J/mol×K | 912.18 | Joback Calculated Property |
| Cp,gas | 1101.06 | J/mol×K | 945.05 | Joback Calculated Property |
| Cp,gas | 1116.45 | J/mol×K | 977.92 | Joback Calculated Property |
| Cp,gas | 1130.71 | J/mol×K | 1010.79 | Joback Calculated Property |
| Cp,gas | 1143.87 | J/mol×K | 1043.66 | Joback Calculated Property |
| Cp,gas | 1155.96 | J/mol×K | 1076.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-allyloxycarbonyl-, tetradecyl ester.
Sources
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