- InChI
- InChI=1S/C23H43NO4/c1-4-5-6-7-8-12-17-28-23(26)24-21(20-15-10-9-11-16-20)22(25)27-18-13-14-19(2)3/h19-21H,4-18H2,1-3H3,(H,24,26)
- InChI Key
- IBLRJXATZAXXGK-UHFFFAOYSA-N
- Formula
- C23H43NO4
- SMILES
-
CCCCCCCCOC(O)=NC(C(=O)OCCCC(C)
C)C1CCCCC1 - Molecular Weight1
- 397.59
- 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 | 1.1419 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1096.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.206 | Crippen Calculated Property | |
| McVol | 348.930 | ml/mol | McGowan Calculated Property |
| Pc | 986.40 | kPa | Joback Calculated Property |
| Inp | 2650.00 | NIST | |
| Tboil | 661.80 | K | Relay (1.0) Calculated Property |
| Tc | 868.87 | K | Relay (1.0) Calculated Property |
| Tfus | 340.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.255 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, isohexyl 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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