- InChI
- InChI=1S/C12H13BrCl2O2/c13-7-3-1-2-4-12(16)17-9-5-6-10(14)11(15)8-9/h5-6,8H,1-4,7H2
- InChI Key
- QOZCUULOIRYKJL-UHFFFAOYSA-N
- Formula
- C12H13BrCl2O2
- SMILES
- O=C(CCCCCBr)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 340.04
- 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° | -100.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.27 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 4.854 | Crippen Calculated Property | |
| McVol | 205.600 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | [2186.00; 2186.00] |
|
|
| Inp | 2186.00 | NIST | |
| Inp | 2186.00 | NIST | |
| Tboil | 727.91 | K | Joback Calculated Property |
| Tc | 953.69 | K | Joback Calculated Property |
| Tfus | 468.26 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.72; 538.31] | J/mol×K | [727.91; 953.69] |
|
| Cp,gas | 480.72 | J/mol×K | 727.91 | Joback Calculated Property |
| Cp,gas | 492.26 | J/mol×K | 765.54 | Joback Calculated Property |
| Cp,gas | 502.99 | J/mol×K | 803.17 | Joback Calculated Property |
| Cp,gas | 512.92 | J/mol×K | 840.80 | Joback Calculated Property |
| Cp,gas | 522.10 | J/mol×K | 878.43 | Joback Calculated Property |
| Cp,gas | 530.56 | J/mol×K | 916.06 | Joback Calculated Property |
| Cp,gas | 538.31 | J/mol×K | 953.69 | Joback Calculated Property |
| η | [0.0001380; 0.0008375] | Pa×s | [468.26; 727.91] |
|
| η | 0.0008375 | Pa×s | 468.26 | Joback Calculated Property |
| η | 0.0005461 | Pa×s | 511.53 | Joback Calculated Property |
| η | 0.0003806 | Pa×s | 554.81 | Joback Calculated Property |
| η | 0.0002795 | Pa×s | 598.09 | Joback Calculated Property |
| η | 0.0002140 | Pa×s | 641.36 | Joback Calculated Property |
| η | 0.0001695 | Pa×s | 684.63 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 727.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 3,4-dichlorophenyl ester.
Sources
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