- InChI
- InChI=1S/C15H9BrO2/c1-8-6-11-12(7-13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
- InChI Key
- IXIDAURFOMZGCN-UHFFFAOYSA-N
- Formula
- C15H9BrO2
- SMILES
-
Cc1cc2c(cc1Br)C(=O)c1ccccc1C2=
O - Molecular Weight1
- 301.13
- CAS
- 84-44-6
- 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).
- 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° | 111.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 3.533 | Crippen Calculated Property | |
| McVol | 184.470 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 824.82 | K | Joback Calculated Property |
| Tc | 1103.47 | K | Joback Calculated Property |
| Tfus | 583.67 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.44; 539.86] | J/mol×K | [824.82; 1103.47] | 
|
| Cp,gas | 481.44 | J/mol×K | 824.82 | Joback Calculated Property |
| Cp,gas | 493.94 | J/mol×K | 871.26 | Joback Calculated Property |
| Cp,gas | 505.26 | J/mol×K | 917.70 | Joback Calculated Property |
| Cp,gas | 515.47 | J/mol×K | 964.14 | Joback Calculated Property |
| Cp,gas | 524.60 | J/mol×K | 1010.59 | Joback Calculated Property |
| Cp,gas | 532.71 | J/mol×K | 1057.03 | Joback Calculated Property |
| Cp,gas | 539.86 | J/mol×K | 1103.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-3-methylanthraquinone.
Sources
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