- InChI
- InChI=1S/C16H25NO6/c1-3-10(2)15(20)23-13-5-7-17-6-4-11(14(13)17)9-22-16(21)12(19)8-18/h3,11-14,18-19H,4-9H2,1-2H3/b10-3+/t11-,12?,13-,14?/m0/s1
- InChI Key
- UCZOPSUTRUWZNY-SNTUAPAQSA-N
- Formula
- C16H25NO6
- SMILES
-
CC=C(C)C(=O)OC1CCN2CCC(COC(=O)
C(O)CO)C12 - Molecular Weight1
- 327.37
- 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 | 0.9828 | Relay (1.0) Calculated Property | |
| ΔfG° | -479.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1058.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.145 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1447.45 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2320.00 | NIST | |
| Tboil | 643.63 | K | Relay (1.0) Calculated Property |
| Tc | 925.74 | K | Relay (1.0) Calculated Property |
| Tfus | 387.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.876 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7-tigloyl-9-(2,3-dihydroxy propanoyl) retronecine.
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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