- InChI
- InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-17-27-22(25)18(2)23-21(24)19-13-15-20(26-3)16-14-19/h13-16,18H,4-12,17H2,1-3H3,(H,23,24)
- InChI Key
- RZBZNVSVSJJRRP-UHFFFAOYSA-N
- Formula
- C22H35NO4
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)NC(=O)c1c
cc(OC)cc1 - Molecular Weight1
- 377.52
- 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° | -143.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.86 | kJ/mol | Joback Calculated Property |
| log10WS | -6.35 | Crippen Calculated Property | |
| logPoct/wat | 4.888 | Crippen Calculated Property | |
| McVol | 321.940 | ml/mol | McGowan Calculated Property |
| Pc | 1188.24 | kPa | Joback Calculated Property |
| Inp | [2926.00; 2926.00] |
|
|
| Inp | 2926.00 | NIST | |
| Inp | 2926.00 | NIST | |
| Tboil | 936.73 | K | Joback Calculated Property |
| Tc | 1148.47 | K | Joback Calculated Property |
| Tfus | 558.62 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1057.99; 1132.89] | J/mol×K | [936.73; 1148.47] |
|
| Cp,gas | 1057.99 | J/mol×K | 936.73 | Joback Calculated Property |
| Cp,gas | 1073.72 | J/mol×K | 972.02 | Joback Calculated Property |
| Cp,gas | 1088.10 | J/mol×K | 1007.31 | Joback Calculated Property |
| Cp,gas | 1101.18 | J/mol×K | 1042.60 | Joback Calculated Property |
| Cp,gas | 1112.98 | J/mol×K | 1077.89 | Joback Calculated Property |
| Cp,gas | 1123.54 | J/mol×K | 1113.18 | Joback Calculated Property |
| Cp,gas | 1132.89 | J/mol×K | 1148.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, undecyl ester.
Sources
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