- InChI
- InChI=1S/C19H31NO4/c1-3-5-7-11-15-23-18(21)17(16-12-9-8-10-13-16)20-19(22)24-14-6-4-2/h2,16-17H,3,5-15H2,1H3,(H,20,22)
- InChI Key
- APAHMHXOAWFETC-UHFFFAOYSA-N
- Formula
- C19H31NO4
- SMILES
-
C#CCCOC(O)=NC(C(=O)OCCCCCC)C1C
CCCC1 - 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 | 0.9418 | Relay (1.0) Calculated Property | |
| ΔfG° | -68.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -758.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.013 | Crippen Calculated Property | |
| McVol | 283.970 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | 2308.00 | NIST | |
| Tboil | 657.50 | K | Relay (1.0) Calculated Property |
| Tc | 853.66 | K | Relay (1.0) Calculated Property |
| Tfus | 349.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.973 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, hexyl 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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