- InChI
- InChI=1S/C18H27NO7/c1-4-11(2)16(22)26-14-6-8-19-7-5-13(15(14)19)9-25-17(23)18(24,10-20)12(3)21/h4-5,12,14-15,20-21,24H,6-10H2,1-3H3/b11-4-/t12?,14-,15?,18?/m0/s1
- InChI Key
- IMZYUCHNYPUYBN-LJTWXBORSA-N
- Formula
- C18H27NO7
- SMILES
-
CC=C(C)C(=O)OC1CCN2CC=C(COC(=O
)C(O)(CO)C(C)O)C12 - Molecular Weight1
- 369.41
- 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 | 1.0890 | Relay (... Calculated Property | |
| ΔfG° | -566.62 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1125.40 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 130.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -0.75 | Relay (... Calculated Property | |
| logPoct/wat | -0.474 | Crippen Calculated Property | |
| McVol | 276.630 | ml/mol | McGowan Calculated Property |
| Pc | 1408.61 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2525.00 | NIST | |
| Tboil | 664.66 | K | Relay (... Calculated Property |
| Tc | 959.53 | K | Relay (... Calculated Property |
| Tfus | 398.29 | K | Relay (... Calculated Property |
| Vc | 0.992 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to dihydroxytriangularine.
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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