- InChI
- InChI=1S/C14H9ClN2O4/c15-5-1-3-7(18)11-9(5)13(20)12-8(19)4-2-6(17-16)10(12)14(11)21/h1-4,17-19H,16H2
- InChI Key
- VADWVKWRBQETDP-UHFFFAOYSA-N
- Formula
- C14H9ClN2O4
- SMILES
-
NNc1ccc(O)c2c1C(=O)c1c(O)ccc(C
l)c1C2=O - Molecular Weight1
- 304.69
- CAS
- 12217-79-7
- Other Names
-
- 1,5-Diaminochloro-4,8-dihydroxyanthraquinone (C.I. disperse blue 56)
- 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° | -76.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 1.812 | Crippen Calculated Property | |
| McVol | 196.820 | ml/mol | McGowan Calculated Property |
| Pc | 4952.36 | kPa | Joback Calculated Property |
| Tboil | 1057.15 | K | Joback Calculated Property |
| Tc | 1339.55 | K | Joback Calculated Property |
| Tfus | 901.88 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.16; 692.53] | J/mol×K | [1057.15; 1339.55] | 
|
| Cp,gas | 603.16 | J/mol×K | 1057.15 | Joback Calculated Property |
| Cp,gas | 616.05 | J/mol×K | 1104.22 | Joback Calculated Property |
| Cp,gas | 629.46 | J/mol×K | 1151.28 | Joback Calculated Property |
| Cp,gas | 643.60 | J/mol×K | 1198.35 | Joback Calculated Property |
| Cp,gas | 658.69 | J/mol×K | 1245.42 | Joback Calculated Property |
| Cp,gas | 674.93 | J/mol×K | 1292.48 | Joback Calculated Property |
| Cp,gas | 692.53 | J/mol×K | 1339.55 | Joback Calculated Property |
| ΔsubH | 93.30 | kJ/mol | 508.00 | NIST |
Similar Compounds
Find more compounds similar to 1,5-diaminochloro-4,8-dihydroxyanthraquinone.
Sources
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