- InChI
- InChI=1S/C23H43NO4/c1-5-7-13-19(6-2)17-28-23(26)24-21(20-14-9-8-10-15-20)22(25)27-16-11-12-18(3)4/h18-21H,5-17H2,1-4H3,(H,24,26)
- InChI Key
- NBCIMGGNSAMIEH-UHFFFAOYSA-N
- Formula
- C23H43NO4
- SMILES
-
CCCCC(CC)COC(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).
- 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 | 1.0843 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1114.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.062 | Crippen Calculated Property | |
| McVol | 348.930 | ml/mol | McGowan Calculated Property |
| Pc | 991.38 | kPa | Joback Calculated Property |
| Tboil | 662.91 | K | Relay (1.0) Calculated Property |
| Tc | 866.72 | K | Relay (1.0) Calculated Property |
| Tfus | 306.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.237 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, 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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