- InChI
- InChI=1S/C18H31NO5/c1-5-12(2)16(20)24-13(3)18(4,22)17(21)23-11-14-8-10-19-9-6-7-15(14)19/h12-15,22H,5-11H2,1-4H3/t12?,13?,14-,15-,18?/m1/s1
- InChI Key
- NXDDOHQAJXTHDT-BSGOTLCWSA-N
- Formula
- C18H31NO5
- SMILES
-
CCC(C)C(=O)OC(C)C(C)(O)C(=O)OC
C1CCN2CCCC12 - Molecular Weight1
- 341.44
- 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 | 0.8684 | Relay (1.0) Calculated Property | |
| ΔfG° | -447.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1074.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.743 | Crippen Calculated Property | |
| McVol | 273.490 | ml/mol | McGowan Calculated Property |
| Pc | 1321.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2142.00; 2142.00] |
|
|
| Inp | 2142.00 | NIST | |
| Inp | 2142.00 | NIST | |
| Tboil | 612.44 | K | Relay (1.0) Calculated Property |
| Tc | 863.11 | K | Relay (1.0) Calculated Property |
| Tfus | 356.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.012 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Minalobine K.
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
- McGowan Method
- NIST Webbook
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