- InChI
- InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2
- InChI Key
- VWBVCOPVKXNMMZ-UHFFFAOYSA-N
- Formula
- C14H10N2O2
- SMILES
- Nc1cccc2c1C(=O)c1cccc(N)c1C2=O
- Molecular Weight1
- 238.24
- CAS
- 129-44-2
- Other Names
-
- 9,10-Anthracenedione, 1,5-diamino-
- Anthraquinone, 1,5-diamino-
- C.I. Disperse Red II
- 1,5-Anthraquinonyldiamine
- 1,5-Daa
- 1,5-Diamino-9,10-anthraquinone
- 1,5-Diaminoanthrachinon
- NSC 63791
- NSC 7213
- Smoke Red F
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | 221.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -13.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 1.626 | Crippen Calculated Property | |
| McVol | 172.840 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Tboil | 880.84 | K | Joback Calculated Property |
| Tc | 1161.76 | K | Joback Calculated Property |
| Tfus | 679.12 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.63; 557.29] | J/mol×K | [880.84; 1161.76] | 
|
| Cp,gas | 507.63 | J/mol×K | 880.84 | Joback Calculated Property |
| Cp,gas | 518.91 | J/mol×K | 927.66 | Joback Calculated Property |
| Cp,gas | 528.94 | J/mol×K | 974.48 | Joback Calculated Property |
| Cp,gas | 537.75 | J/mol×K | 1021.30 | Joback Calculated Property |
| Cp,gas | 545.39 | J/mol×K | 1068.12 | Joback Calculated Property |
| Cp,gas | 551.89 | J/mol×K | 1114.94 | Joback Calculated Property |
| Cp,gas | 557.29 | J/mol×K | 1161.76 | Joback Calculated Property |
| ΔsubH | 118.50 ± 4.80 | kJ/mol | 416.00 | NIST |
Similar Compounds
Find more compounds similar to 1,5-Diaminoanthraquinone.
Sources
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