- InChI
- InChI=1S/C16H27NO5/c1-4-14(18)22-11(2)16(3,20)15(19)21-10-12-7-9-17-8-5-6-13(12)17/h11-13,20H,4-10H2,1-3H3/t11?,12-,13-,16?/m1/s1
- InChI Key
- RVTARTUVJMTYMU-LGESCRJUSA-N
- Formula
- C16H27NO5
- SMILES
-
CCC(=O)OC(C)C(C)(O)C(=O)OCC1CC
N2CCCC12 - Molecular Weight1
- 313.39
- 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 | 0.8365 | Relay (1.0) Calculated Property | |
| ΔfG° | -454.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1014.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.107 | Crippen Calculated Property | |
| McVol | 245.310 | ml/mol | McGowan Calculated Property |
| Pc | 1497.45 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2049.00; 2049.00] |
|
|
| Inp | 2049.00 | NIST | |
| Inp | 2049.00 | NIST | |
| Tboil | 605.86 | K | Relay (1.0) Calculated Property |
| Tc | 848.82 | K | Relay (1.0) Calculated Property |
| Tfus | 358.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.911 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Minalobine I.
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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