- InChI
- InChI=1S/C20H39NO4/c1-6-7-8-9-10-11-12-13-14-15-24-18(22)17(2)21-19(23)25-16-20(3,4)5/h17H,6-16H2,1-5H3,(H,21,23)
- InChI Key
- PBAGFOJDLAIJHH-UHFFFAOYSA-N
- Formula
- C20H39NO4
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
(C)(C)C - Molecular Weight1
- 357.53
- 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° | -260.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.18 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 5.221 | Crippen Calculated Property | |
| McVol | 317.520 | ml/mol | McGowan Calculated Property |
| Pc | 1106.68 | kPa | Joback Calculated Property |
| Inp | 2310.00 | NIST | |
| Tboil | 856.08 | K | Joback Calculated Property |
| Tc | 1050.34 | K | Joback Calculated Property |
| Tfus | 499.56 | K | Joback Calculated Property |
| Vc | 1.222 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1034.67; 1124.80] | J/mol×K | [856.08; 1050.34] | 
|
| Cp,gas | 1034.67 | J/mol×K | 856.08 | Joback Calculated Property |
| Cp,gas | 1052.43 | J/mol×K | 888.46 | Joback Calculated Property |
| Cp,gas | 1069.04 | J/mol×K | 920.83 | Joback Calculated Property |
| Cp,gas | 1084.55 | J/mol×K | 953.21 | Joback Calculated Property |
| Cp,gas | 1098.99 | J/mol×K | 985.59 | Joback Calculated Property |
| Cp,gas | 1112.39 | J/mol×K | 1017.96 | Joback Calculated Property |
| Cp,gas | 1124.80 | J/mol×K | 1050.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, undecyl ester.
Sources
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