- InChI
- InChI=1S/C21H29NO5/c1-15(27-19(23)13-16-7-4-3-5-8-16)21(2,25)20(24)26-14-17-10-12-22-11-6-9-18(17)22/h3-5,7-8,15,17-18,25H,6,9-14H2,1-2H3/t15-,17-,18-,21-/m1/s1
- InChI Key
- FRWUADKGCTWWAT-QTQZEZTPSA-N
- Formula
- C21H29NO5
- SMILES
-
CC(OC(=O)Cc1ccccc1)C(C)(O)C(=O
)OCC1CCN2CCCC12 - Molecular Weight1
- 375.46
- 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 | 0.9157 | Relay (1.0) Calculated Property | |
| ΔfG° | -309.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -874.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.939 | Crippen Calculated Property | |
| McVol | 292.000 | ml/mol | McGowan Calculated Property |
| Pc | 1200.04 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2526.00; 2526.00] |
|
|
| Inp | 2526.00 | NIST | |
| Inp | 2526.00 | NIST | |
| Tboil | 675.60 | K | Relay (1.0) Calculated Property |
| Tc | 950.26 | K | Relay (1.0) Calculated Property |
| Tfus | 379.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Minalobine R.
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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