- InChI
- InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-21(24)17-18-23-22(25)20(2)3/h20H,4-19H2,1-3H3,(H,23,25)
- InChI Key
- WYXNMQPJPFDDGB-UHFFFAOYSA-N
- Formula
- C22H43NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)C
(C)C - Molecular Weight1
- 369.58
- 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° | -141.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.62 | Crippen Calculated Property | |
| logPoct/wat | 5.783 | Crippen Calculated Property | |
| McVol | 339.830 | ml/mol | McGowan Calculated Property |
| Pc | 976.56 | kPa | Joback Calculated Property |
| Inp | 2723.00 | NIST | |
| Tboil | 882.65 | K | Joback Calculated Property |
| Tc | 1080.61 | K | Joback Calculated Property |
| Tfus | 497.45 | K | Joback Calculated Property |
| Vc | 1.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1126.11; 1222.71] | J/mol×K | [882.65; 1080.61] | 
|
| Cp,gas | 1126.11 | J/mol×K | 882.65 | Joback Calculated Property |
| Cp,gas | 1145.13 | J/mol×K | 915.64 | Joback Calculated Property |
| Cp,gas | 1162.92 | J/mol×K | 948.64 | Joback Calculated Property |
| Cp,gas | 1179.54 | J/mol×K | 981.63 | Joback Calculated Property |
| Cp,gas | 1195.02 | J/mol×K | 1014.62 | Joback Calculated Property |
| Cp,gas | 1209.40 | J/mol×K | 1047.62 | Joback Calculated Property |
| Cp,gas | 1222.71 | J/mol×K | 1080.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, pentadecyl ester.
Sources
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