- InChI
- InChI=1S/C20H37NO4/c1-4-6-7-8-9-10-11-12-13-14-15-17-24-19(22)18(3)21-20(23)25-16-5-2/h5,18H,2,4,6-17H2,1,3H3,(H,21,23)
- InChI Key
- ISRDLPUYIPKCJR-UHFFFAOYSA-N
- Formula
- C20H37NO4
- SMILES
-
C=CCOC(=O)NC(C)C(=O)OCCCCCCCCC
CCCC - Molecular Weight1
- 355.51
- 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 | 1.0253 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -965.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.141 | Crippen Calculated Property | |
| McVol | 313.220 | ml/mol | McGowan Calculated Property |
| Pc | 1123.81 | kPa | Joback Calculated Property |
| Inp | 2416.00 | NIST | |
| Tboil | 623.19 | K | Relay (1.0) Calculated Property |
| Tc | 817.63 | K | Relay (1.0) Calculated Property |
| Tfus | 306.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.16; 1093.73] | J/mol×K | [855.99; 1049.04] | 
|
| Cp,gas | 1006.16 | J/mol×K | 855.99 | Joback Calculated Property |
| Cp,gas | 1023.48 | J/mol×K | 888.17 | Joback Calculated Property |
| Cp,gas | 1039.68 | J/mol×K | 920.34 | Joback Calculated Property |
| Cp,gas | 1054.77 | J/mol×K | 952.52 | Joback Calculated Property |
| Cp,gas | 1068.80 | J/mol×K | 984.69 | Joback Calculated Property |
| Cp,gas | 1081.78 | J/mol×K | 1016.87 | Joback Calculated Property |
| Cp,gas | 1093.73 | J/mol×K | 1049.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-allyloxycarbonyl-, tridecyl ester.
Sources
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