- InChI
- InChI=1S/C8H12BrCl3O2/c9-5-3-1-2-4-7(13)14-6-8(10,11)12/h1-6H2
- InChI Key
- VMPRRSDTJAASQS-UHFFFAOYSA-N
- Formula
- C8H12BrCl3O2
- SMILES
- O=C(CCCCCBr)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 326.44
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6465 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.855 | Crippen Calculated Property | |
| McVol | 185.240 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | 1798.00 | NIST | |
| Tboil | 561.00 | K | Relay (1.0) Calculated Property |
| Tc | 754.68 | K | Relay (1.0) Calculated Property |
| Tfus | 329.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.63; 449.50] | J/mol×K | [633.95; 847.82] | 
|
| Cp,gas | 397.63 | J/mol×K | 633.95 | Joback Calculated Property |
| Cp,gas | 407.91 | J/mol×K | 669.59 | Joback Calculated Property |
| Cp,gas | 417.47 | J/mol×K | 705.24 | Joback Calculated Property |
| Cp,gas | 426.37 | J/mol×K | 740.88 | Joback Calculated Property |
| Cp,gas | 434.65 | J/mol×K | 776.53 | Joback Calculated Property |
| Cp,gas | 442.34 | J/mol×K | 812.17 | Joback Calculated Property |
| Cp,gas | 449.50 | J/mol×K | 847.82 | Joback Calculated Property |
| η | [0.0001807; 0.0016605] | Pa×s | [404.06; 633.95] |
|
| η | 0.0016605 | Pa×s | 404.06 | Joback Calculated Property |
| η | 0.0009777 | Pa×s | 442.38 | Joback Calculated Property |
| η | 0.0006263 | Pa×s | 480.69 | Joback Calculated Property |
| η | 0.0004285 | Pa×s | 519.00 | Joback Calculated Property |
| η | 0.0003089 | Pa×s | 557.32 | Joback Calculated Property |
| η | 0.0002322 | Pa×s | 595.63 | Joback Calculated Property |
| η | 0.0001807 | Pa×s | 633.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 2,2,2-trichloroethyl ester.
Sources
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