- InChI
- InChI=1S/C23H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-27-23(26)19-20-24-22(25)18-16-6-4-2/h3-21H2,1-2H3,(H,24,25)
- InChI Key
- VDBNJRPKDOGMMI-UHFFFAOYSA-N
- Formula
- C23H45NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCN=C(O)CC
CCC - Molecular Weight1
- 383.61
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 1.2785 | Relay (1.0) Calculated Property | |
| ΔfG° | -167.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -955.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 140.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.158 | Crippen Calculated Property | |
| McVol | 353.920 | ml/mol | McGowan Calculated Property |
| Pc | 871.19 | kPa | Joback Calculated Property |
| Inp | [2933.00; 2933.00] |
|
|
| Inp | 2933.00 | NIST | |
| Inp | 2933.00 | NIST | |
| Tboil | 656.57 | K | Relay (1.0) Calculated Property |
| Tc | 846.44 | K | Relay (1.0) Calculated Property |
| Tfus | 366.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.352 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-caproyl-, tetradecyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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