- InChI
- InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24(27)18-19-25-23(26)21-22(2)3/h21H,4-20H2,1-3H3,(H,25,26)
- InChI Key
- QKRGLEQGMQJVGW-UHFFFAOYSA-N
- Formula
- C24H45NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCNC(=O)
C=C(C)C - Molecular Weight1
- 395.62
- 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 | 1.1495 | Relay (... Calculated Property | |
| ΔfG° | -50.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -895.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 66.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.70 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -6.70 | Relay (... Calculated Property | |
| logPoct/wat | 6.483 | Crippen Calculated Property | |
| McVol | 363.710 | ml/mol | McGowan Calculated Property |
| Pc | 894.80 | kPa | Joback Calculated Property |
| Inp | 3108.00 | NIST | |
| Tboil | 648.29 | K | Relay (... Calculated Property |
| Tc | 859.02 | K | Relay (... Calculated Property |
| Tfus | 339.03 | K | Relay (... Calculated Property |
| Vc | 1.373 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1223.72; 1323.70] | J/mol×K | [932.89; 1143.22] | 
|
| Cp,gas | 1223.72 | J/mol×K | 932.89 | Joback Calculated Property |
| Cp,gas | 1243.29 | J/mol×K | 967.94 | Joback Calculated Property |
| Cp,gas | 1261.61 | J/mol×K | 1003.00 | Joback Calculated Property |
| Cp,gas | 1278.74 | J/mol×K | 1038.05 | Joback Calculated Property |
| Cp,gas | 1294.75 | J/mol×K | 1073.11 | Joback Calculated Property |
| Cp,gas | 1309.72 | J/mol×K | 1108.16 | Joback Calculated Property |
| Cp,gas | 1323.70 | J/mol×K | 1143.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-methylbut-2-enoyl)-, hexadecyl ester.
Sources
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