- InChI
- InChI=1S/C19H30N2O3/c1-12(2)19(23)24-15-6-7-20-10-13-8-14(17(20)9-15)11-21-16(13)4-3-5-18(21)22/h12-17H,3-11H2,1-2H3/t13?,14?,15-,16?,17?/m1/s1
- InChI Key
- FOPGUSZPKIVDDA-WALXCBACSA-N
- Formula
- C19H30N2O3
- SMILES
-
CC(C)C(=O)OC1CCN2CC3CC(CN4C(=O
)CCCC34)C2C1 - Molecular Weight1
- 334.45
- 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 | 0.6650 | Relay (... Calculated Property | |
| ΔfG° | -66.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -667.51 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.21 | kJ/mol | Relay (... Calculated Property |
| IE | 7.68 | eV | Relay (... Calculated Property |
| log10WS | -2.03 | Relay (... Calculated Property | |
| logPoct/wat | 2.049 | Crippen Calculated Property | |
| McVol | 264.100 | ml/mol | McGowan Calculated Property |
| Pc | 813.89 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2570.00; 2570.00] |
|
|
| Inp | 2570.00 | NIST | |
| Inp | 2570.00 | NIST | |
| Tboil | 670.75 | K | Relay (... Calculated Property |
| Tc | 952.14 | K | Relay (... Calculated Property |
| Tfus | 433.88 | K | Relay (... Calculated Property |
| Vc | 0.986 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 13-Isobutyryloxylupanine.
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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