- InChI
- InChI=1S/C23H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-23(26)17-18-24-22(25)20-21(2)3/h20H,4-19H2,1-3H3,(H,24,25)
- InChI Key
- KQNFLSLDFIYHLY-UHFFFAOYSA-N
- Formula
- C23H43NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)C
=C(C)C - Molecular Weight1
- 381.59
- 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 | 1.1144 | Relay (... Calculated Property | |
| ΔfG° | -59.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 63.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.72 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -6.38 | Relay (... Calculated Property | |
| logPoct/wat | 6.093 | Crippen Calculated Property | |
| McVol | 349.620 | ml/mol | McGowan Calculated Property |
| Pc | 948.50 | kPa | Joback Calculated Property |
| Inp | 2944.00 | NIST | |
| Tboil | 641.74 | K | Relay (... Calculated Property |
| Tc | 852.08 | K | Relay (... Calculated Property |
| Tfus | 336.85 | K | Relay (... Calculated Property |
| Vc | 1.318 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1160.78; 1258.34] | J/mol×K | [910.01; 1114.22] | 
|
| Cp,gas | 1160.78 | J/mol×K | 910.01 | Joback Calculated Property |
| Cp,gas | 1179.78 | J/mol×K | 944.05 | Joback Calculated Property |
| Cp,gas | 1197.61 | J/mol×K | 978.08 | Joback Calculated Property |
| Cp,gas | 1214.32 | J/mol×K | 1012.12 | Joback Calculated Property |
| Cp,gas | 1229.97 | J/mol×K | 1046.15 | Joback Calculated Property |
| Cp,gas | 1244.63 | J/mol×K | 1080.19 | Joback Calculated Property |
| Cp,gas | 1258.34 | J/mol×K | 1114.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-methylbut-2-enoyl)-, pentadecyl ester.
Sources
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