- InChI
- InChI=1S/C12H12BrCl3O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2
- InChI Key
- RFAYCUNNCKCRHH-UHFFFAOYSA-N
- Formula
- C12H12BrCl3O2
- SMILES
-
O=C(CCCCCBr)Oc1cc(Cl)c(Cl)cc1C
l - Molecular Weight1
- 374.49
- 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° | -121.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.31 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 5.508 | Crippen Calculated Property | |
| McVol | 217.840 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | 2415.00 | NIST | |
| Tboil | 770.32 | K | Joback Calculated Property |
| Tc | 999.55 | K | Joback Calculated Property |
| Tfus | 510.70 | K | Joback Calculated Property |
| Vc | 0.833 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.67; 552.10] | J/mol×K | [770.32; 999.55] | 
|
| Cp,gas | 500.67 | J/mol×K | 770.32 | Joback Calculated Property |
| Cp,gas | 511.12 | J/mol×K | 808.52 | Joback Calculated Property |
| Cp,gas | 520.77 | J/mol×K | 846.73 | Joback Calculated Property |
| Cp,gas | 529.68 | J/mol×K | 884.93 | Joback Calculated Property |
| Cp,gas | 537.85 | J/mol×K | 923.14 | Joback Calculated Property |
| Cp,gas | 545.31 | J/mol×K | 961.34 | Joback Calculated Property |
| Cp,gas | 552.10 | J/mol×K | 999.55 | Joback Calculated Property |
| η | [0.0001216; 0.0006276] | Pa×s | [510.70; 770.32] |
|
| η | 0.0006276 | Pa×s | 510.70 | Joback Calculated Property |
| η | 0.0004290 | Pa×s | 553.97 | Joback Calculated Property |
| η | 0.0003099 | Pa×s | 597.24 | Joback Calculated Property |
| η | 0.0002339 | Pa×s | 640.51 | Joback Calculated Property |
| η | 0.0001830 | Pa×s | 683.78 | Joback Calculated Property |
| η | 0.0001473 | Pa×s | 727.05 | Joback Calculated Property |
| η | 0.0001216 | Pa×s | 770.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 2,4,5-trichlorophenyl ester.
Sources
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