- InChI
- InChI=1S/C23H39NO4/c1-3-5-7-8-9-10-11-15-19-27-22(25)21(20-16-13-12-14-17-20)24-23(26)28-18-6-4-2/h20-21H,3,5,7-19H2,1-2H3,(H,24,26)
- InChI Key
- NLDDFXNGHZAWJE-UHFFFAOYSA-N
- Formula
- C23H39NO4
- SMILES
-
CC#CCOC(O)=NC(C(=O)OCCCCCCCCCC
)C1CCCCC1 - Molecular Weight1
- 393.56
- 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 | 1.0713 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -837.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.573 | Crippen Calculated Property | |
| McVol | 340.330 | ml/mol | McGowan Calculated Property |
| Pc | 1087.78 | kPa | Joback Calculated Property |
| Inp | 2789.00 | NIST | |
| Tboil | 660.82 | K | Relay (1.0) Calculated Property |
| Tc | 891.66 | K | Relay (1.0) Calculated Property |
| Tfus | 363.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.192 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, decyl 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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