- InChI
- InChI=1S/C16H6Br4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H/b14-13+
- InChI Key
- PTWYQANXSNMUTI-BUHFOSPRSA-N
- Formula
- C16H6Br4N2O2
- SMILES
-
O=C1C(=C2Nc3c(Br)cc(Br)cc3C2=O
)Nc2c(Br)cc(Br)cc21 - Molecular Weight1
- 577.85
- CAS
- 2475-31-2
- Other Names
-
- 5,7-Dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one (C.I. Vat Blue 5)
- 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° | 386.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 157.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.54 | kJ/mol | Joback Calculated Property |
| log10WS | -8.91 | Crippen Calculated Property | |
| logPoct/wat | 5.865 | Crippen Calculated Property | |
| McVol | 255.860 | ml/mol | McGowan Calculated Property |
| Pc | 4730.11 | kPa | Joback Calculated Property |
| Tboil | 1178.04 | K | Joback Calculated Property |
| Tc | 1495.61 | K | Joback Calculated Property |
| Tfus | 1053.90 | K | Joback Calculated Property |
| Vc | 0.954 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.14; 669.50] | J/mol×K | [1178.04; 1495.61] | 
|
| Cp,gas | 627.14 | J/mol×K | 1178.04 | Joback Calculated Property |
| Cp,gas | 635.06 | J/mol×K | 1230.97 | Joback Calculated Property |
| Cp,gas | 642.47 | J/mol×K | 1283.90 | Joback Calculated Property |
| Cp,gas | 649.51 | J/mol×K | 1336.82 | Joback Calculated Property |
| Cp,gas | 656.27 | J/mol×K | 1389.75 | Joback Calculated Property |
| Cp,gas | 662.90 | J/mol×K | 1442.68 | Joback Calculated Property |
| Cp,gas | 669.50 | J/mol×K | 1495.61 | Joback Calculated Property |
| ΔsubH | 129.00 | kJ/mol | 576.50 | NIST |
Similar Compounds
Sources
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