- InChI
- InChI=1S/C19H31NO4/c1-4-5-13-24-19(22)20-17(16-11-7-6-8-12-16)18(21)23-14-9-10-15(2)3/h1,15-17H,5-14H2,2-3H3,(H,20,22)
- InChI Key
- QORMMBJJJPIGSR-UHFFFAOYSA-N
- Formula
- C19H31NO4
- SMILES
-
C#CCCOC(O)=NC(C(=O)OCCCC(C)C)C
1CCCCC1 - Molecular Weight1
- 337.45
- 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 | 0.9085 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -779.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.869 | Crippen Calculated Property | |
| McVol | 283.970 | ml/mol | McGowan Calculated Property |
| Pc | 1421.85 | kPa | Joback Calculated Property |
| Inp | 2273.00 | NIST | |
| Tboil | 655.11 | K | Relay (1.0) Calculated Property |
| Tc | 848.97 | K | Relay (1.0) Calculated Property |
| Tfus | 353.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.966 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)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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