- InChI
- InChI=1S/C15H13N3O5/c1-22-14-8-5-11(9-13(14)15(19)23-2)17-16-10-3-6-12(7-4-10)18(20)21/h3-9H,1-2H3
- InChI Key
- DMRGBNPNEMDBKI-UHFFFAOYSA-N
- Formula
- C15H13N3O5
- SMILES
-
COC(=O)c1cc(N=Nc2ccc([N+](=O)[
O-])cc2)ccc1OC - Molecular Weight1
- 315.28
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -254.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.53 | Crippen 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 | 2835.00 | NIST | |
| Tboil | 1010.65 | K | Joback Calculated Property |
| Tc | 1276.89 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mordant Orange 1, O,O'-dimethyl-.
Sources
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