- InChI
- InChI=1S/C22H43NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-26-20(24)19(2)23-21(25)27-18-22(3,4)5/h19H,6-18H2,1-5H3,(H,23,25)
- InChI Key
- AMECOOPDZSVILG-UHFFFAOYSA-N
- Formula
- C22H43NO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)O
CC(C)(C)C - Molecular Weight1
- 385.58
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0743 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1143.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.001 | Crippen Calculated Property | |
| McVol | 345.700 | ml/mol | McGowan Calculated Property |
| Pc | 977.78 | kPa | Joback Calculated Property |
| Inp | 2506.00 | NIST | |
| Tboil | 616.57 | K | Relay (1.0) Calculated Property |
| Tc | 818.93 | K | Relay (1.0) Calculated Property |
| Tfus | 341.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.319 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1157.93; 1250.67] | J/mol×K | [901.84; 1104.13] | 
|
| Cp,gas | 1157.93 | J/mol×K | 901.84 | Joback Calculated Property |
| Cp,gas | 1176.43 | J/mol×K | 935.55 | Joback Calculated Property |
| Cp,gas | 1193.64 | J/mol×K | 969.27 | Joback Calculated Property |
| Cp,gas | 1209.63 | J/mol×K | 1002.98 | Joback Calculated Property |
| Cp,gas | 1224.43 | J/mol×K | 1036.70 | Joback Calculated Property |
| Cp,gas | 1238.09 | J/mol×K | 1070.41 | Joback Calculated Property |
| Cp,gas | 1250.67 | J/mol×K | 1104.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, tridecyl ester.
Sources
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