- InChI
- InChI=1S/C22H39NO4/c1-3-5-7-8-9-10-14-18-26-21(24)20(19-15-12-11-13-16-19)23-22(25)27-17-6-4-2/h4,19-20H,2-3,5-18H2,1H3,(H,23,25)
- InChI Key
- BNOQASQXTRKYIB-UHFFFAOYSA-N
- Formula
- C22H39NO4
- SMILES
-
C=CCCOC(O)=NC(C(=O)OCCCCCCCCC)
C1CCCCC1 - Molecular Weight1
- 381.55
- 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 | 1.0960 | Relay (... Calculated Property | |
| ΔfG° | -147.76 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -968.61 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 121.96 | kJ/mol | Relay (... Calculated Property |
| IE | 9.12 | eV | Relay (... Calculated Property |
| log10WS | -5.31 | Relay (... Calculated Property | |
| logPoct/wat | 5.736 | Crippen Calculated Property | |
| McVol | 330.540 | ml/mol | McGowan Calculated Property |
| Pc | 1072.17 | kPa | Joback Calculated Property |
| Inp | 2577.00 | NIST | |
| Tboil | 675.71 | K | Relay (... Calculated Property |
| Tc | 873.30 | K | Relay (... Calculated Property |
| Tfus | 327.60 | K | Relay (... Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, nonyl 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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