- InChI
- InChI=1S/C20H37NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)16-17-21-19(22)4-2/h4H,2-3,5-18H2,1H3,(H,21,22)
- InChI Key
- XWOJQYCYIOEHDB-UHFFFAOYSA-N
- Formula
- C20H37NO3
- SMILES
-
C=CC(=O)NCCC(=O)OCCCCCCCCCCCCC
C - Molecular Weight1
- 339.51
- 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 | 1.0526 | Relay (... Calculated Property | |
| ΔfG° | -68.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 55.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.89 | kJ/mol | Relay (... Calculated Property |
| IE | 9.37 | eV | Relay (... Calculated Property |
| log10WS | -5.37 | Relay (... Calculated Property | |
| logPoct/wat | 4.923 | Crippen Calculated Property | |
| McVol | 307.350 | ml/mol | McGowan Calculated Property |
| Pc | 1130.62 | kPa | Joback Calculated Property |
| Inp | 2607.00 | NIST | |
| Tboil | 627.14 | K | Relay (... Calculated Property |
| Tc | 827.70 | K | Relay (... Calculated Property |
| Tfus | 320.35 | K | Relay (... Calculated Property |
| Vc | 1.155 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [974.72; 1065.27] | J/mol×K | [834.01; 1022.91] | 
|
| Cp,gas | 974.72 | J/mol×K | 834.01 | Joback Calculated Property |
| Cp,gas | 992.25 | J/mol×K | 865.49 | Joback Calculated Property |
| Cp,gas | 1008.76 | J/mol×K | 896.98 | Joback Calculated Property |
| Cp,gas | 1024.29 | J/mol×K | 928.46 | Joback Calculated Property |
| Cp,gas | 1038.85 | J/mol×K | 959.94 | Joback Calculated Property |
| Cp,gas | 1052.50 | J/mol×K | 991.43 | Joback Calculated Property |
| Cp,gas | 1065.27 | J/mol×K | 1022.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-acryloyl-, tetradecyl ester.
Sources
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