- InChI
- InChI=1S/C15H13N3O5/c1-22-14-7-6-11(9-13(14)15(19)23-2)17-16-10-4-3-5-12(8-10)18(20)21/h3-9H,1-2H3
- InChI Key
- ZVINFZLLAWAZOT-UHFFFAOYSA-N
- Formula
- C15H13N3O5
- SMILES
-
COC(=O)c1cc(N=Nc2cccc([N+](=O)
[O-])c2)ccc1OC - Molecular Weight1
- 315.28
- 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 | 0.9117 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -121.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.805 | Crippen Calculated Property | |
| McVol | 221.080 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Inp | [2822.00; 2822.00] |
|
|
| Inp | 2822.00 | NIST | |
| Inp | 2822.00 | NIST | |
| Tboil | 665.89 | K | Relay (1.0) Calculated Property |
| Tc | 962.72 | K | Relay (1.0) Calculated Property |
| Tfus | 387.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.788 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Alizarin Yellow GG, O,O'-dimethyl-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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