- InChI
- InChI=1S/C14H7BrClNO2/c15-11-10-8(5-9(16)12(11)17)13(18)6-3-1-2-4-7(6)14(10)19/h1-5H,17H2
- InChI Key
- ZFWJIKSKKWACEX-UHFFFAOYSA-N
- Formula
- C14H7BrClNO2
- SMILES
-
Nc1c(Cl)cc2c(c1Br)C(=O)c1ccccc
1C2=O - Molecular Weight1
- 336.57
- CAS
- 117-01-1
- 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° | 147.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -48.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 3.460 | Crippen Calculated Property | |
| McVol | 192.600 | ml/mol | McGowan Calculated Property |
| Pc | 3551.53 | kPa | Joback Calculated Property |
| Tboil | 916.88 | K | Joback Calculated Property |
| Tc | 1205.04 | K | Joback Calculated Property |
| Tfus | 698.10 | K | Joback Calculated Property |
| Vc | 0.724 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.48; 537.82] | J/mol×K | [916.88; 1205.04] | 
|
| Cp,gas | 496.48 | J/mol×K | 916.88 | Joback Calculated Property |
| Cp,gas | 505.98 | J/mol×K | 964.91 | Joback Calculated Property |
| Cp,gas | 514.37 | J/mol×K | 1012.93 | Joback Calculated Property |
| Cp,gas | 521.71 | J/mol×K | 1060.96 | Joback Calculated Property |
| Cp,gas | 528.04 | J/mol×K | 1108.98 | Joback Calculated Property |
| Cp,gas | 533.39 | J/mol×K | 1157.01 | Joback Calculated Property |
| Cp,gas | 537.82 | J/mol×K | 1205.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthraquinone, 2-amino-1-bromo-3-chloro-.
Sources
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