- InChI
- InChI=1S/C21H33NO4/c1-4-5-6-7-8-9-10-11-16-26-21(24)17(2)22-20(23)18-12-14-19(25-3)15-13-18/h12-15,17H,4-11,16H2,1-3H3,(H,22,23)
- InChI Key
- LGTSRMGLHRQYAQ-UHFFFAOYSA-N
- Formula
- C21H33NO4
- SMILES
-
CCCCCCCCCCOC(=O)C(C)NC(=O)c1cc
c(OC)cc1 - Molecular Weight1
- 363.49
- 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 | 1.0335 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.497 | Crippen Calculated Property | |
| McVol | 307.850 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | 2849.00 | NIST | |
| Tboil | 655.49 | K | Relay (1.0) Calculated Property |
| Tc | 883.74 | K | Relay (1.0) Calculated Property |
| Tfus | 354.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.134 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.49; 1072.16] | J/mol×K | [913.85; 1122.70] | 
|
| Cp,gas | 997.49 | J/mol×K | 913.85 | Joback Calculated Property |
| Cp,gas | 1013.04 | J/mol×K | 948.66 | Joback Calculated Property |
| Cp,gas | 1027.30 | J/mol×K | 983.47 | Joback Calculated Property |
| Cp,gas | 1040.32 | J/mol×K | 1018.27 | Joback Calculated Property |
| Cp,gas | 1052.11 | J/mol×K | 1053.08 | Joback Calculated Property |
| Cp,gas | 1062.71 | J/mol×K | 1087.89 | Joback Calculated Property |
| Cp,gas | 1072.16 | J/mol×K | 1122.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, decyl ester.
Sources
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