- InChI
- InChI=1S/C22H37NO4/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/h19-20H,3,5,7-18H2,1-2H3,(H,23,25)
- InChI Key
- DRXGWLHITKPBJU-UHFFFAOYSA-N
- Formula
- C22H37NO4
- SMILES
-
CC#CCOC(O)=NC(C(=O)OCCCCCCCCC)
C1CCCCC1 - Molecular Weight1
- 379.53
- 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 | 1.0354 | Relay (1.0) Calculated Property | |
| ΔfG° | -75.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -816.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.183 | Crippen Calculated Property | |
| McVol | 326.240 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Inp | [2691.00; 2691.00] |
|
|
| Inp | 2691.00 | NIST | |
| Inp | 2691.00 | NIST | |
| Tboil | 653.83 | K | Relay (1.0) Calculated Property |
| Tc | 883.59 | K | Relay (1.0) Calculated Property |
| Tfus | 361.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.138 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-2-yn-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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