- InChI
- InChI=1S/C13H21NO3/c1-3-13(2,16)12(15)17-9-10-6-8-14-7-4-5-11(10)14/h3,10-11,16H,1,4-9H2,2H3/t10-,11-,13+/m1/s1
- InChI Key
- JNRQYFRCQACATM-WZRBSPASSA-N
- Formula
- C13H21NO3
- SMILES
- C=CC(C)(O)C(=O)OCC1CCN2CCCC12
- Molecular Weight1
- 239.31
- 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 | 0.6986 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -535.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.951 | Crippen Calculated Property | |
| McVol | 191.300 | ml/mol | McGowan Calculated Property |
| Pc | 1826.09 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1720.00; 1720.00] |
|
|
| Inp | 1720.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Tboil | 570.88 | K | Relay (1.0) Calculated Property |
| Tc | 816.19 | K | Relay (1.0) Calculated Property |
| Tfus | 347.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Minalobine C.
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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