- InChI
- InChI=1S/C30H57NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-34-29(32)28(27-22-19-18-20-23-27)31-30(33)35-25-26(2)3/h26-28H,4-25H2,1-3H3,(H,31,33)
- InChI Key
- KDVHUUQYDSMUEC-UHFFFAOYSA-N
- Formula
- C30H57NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(N=C(O
)OCC(C)C)C1CCCCC1 - Molecular Weight1
- 495.78
- 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 | 1.3930 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1234.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 152.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.937 | Crippen Calculated Property | |
| McVol | 447.560 | ml/mol | McGowan Calculated Property |
| Pc | 672.55 | kPa | Joback Calculated Property |
| Tboil | 710.24 | K | Relay (1.0) Calculated Property |
| Tc | 917.80 | K | Relay (1.0) Calculated Property |
| Tfus | 353.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.642 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, heptadecyl 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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