- InChI
- InChI=1S/C13H6BrCl3O2/c14-8-3-1-7(2-4-8)13(18)19-12-6-10(16)9(15)5-11(12)17/h1-6H
- InChI Key
- SPLGREMAUYPNSI-UHFFFAOYSA-N
- Formula
- C13H6BrCl3O2
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1ccc(
Br)cc1 - Molecular Weight1
- 380.45
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- 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° | -10.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.48 | kJ/mol | Joback Calculated Property |
| log10WS | -6.78 | Crippen Calculated Property | |
| logPoct/wat | 5.629 | Crippen Calculated Property | |
| McVol | 208.170 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [2533.00; 2533.00] |
|
|
| Inp | 2533.00 | NIST | |
| Inp | 2533.00 | NIST | |
| Tboil | 824.86 | K | Joback Calculated Property |
| Tc | 1092.02 | K | Joback Calculated Property |
| Tfus | 560.91 | K | Joback Calculated Property |
| Vc | 0.780 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.41; 492.12] | J/mol×K | [824.86; 1092.02] |
|
| Cp,gas | 453.41 | J/mol×K | 824.86 | Joback Calculated Property |
| Cp,gas | 462.08 | J/mol×K | 869.39 | Joback Calculated Property |
| Cp,gas | 469.80 | J/mol×K | 913.91 | Joback Calculated Property |
| Cp,gas | 476.61 | J/mol×K | 958.44 | Joback Calculated Property |
| Cp,gas | 482.57 | J/mol×K | 1002.97 | Joback Calculated Property |
| Cp,gas | 487.72 | J/mol×K | 1047.49 | Joback Calculated Property |
| Cp,gas | 492.12 | J/mol×K | 1092.02 | Joback Calculated Property |
| η | [0.0001107; 0.0004776] | Pa×s | [560.91; 824.86] |
|
| η | 0.0004776 | Pa×s | 560.91 | Joback Calculated Property |
| η | 0.0003426 | Pa×s | 604.90 | Joback Calculated Property |
| η | 0.0002570 | Pa×s | 648.89 | Joback Calculated Property |
| η | 0.0002000 | Pa×s | 692.88 | Joback Calculated Property |
| η | 0.0001604 | Pa×s | 736.88 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 780.87 | Joback Calculated Property |
| η | 0.0001107 | Pa×s | 824.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobenzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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