- InChI
- InChI=1S/C15H26N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h10-15,18-19H,1-9H2/t10?,11?,12-,13+,14?,15?/m0/s1
- InChI Key
- NXRUZNUZJRPNHB-ZTQFERANSA-N
- Formula
- C15H26N2O2
- SMILES
- OC1CCCC2C3CC(CN12)C1CCCCN1C3O
- Molecular Weight1
- 266.38
- 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 | 0.6641 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -430.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 138.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.982 | Crippen Calculated Property | |
| McVol | 210.470 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2510.00 | NIST | |
| Tboil | 636.26 | K | Relay (1.0) Calculated Property |
| Tc | 947.09 | K | Relay (1.0) Calculated Property |
| Tfus | 484.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4,13-Dihydroxylupanine.
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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