- InChI
- InChI=1S/C17H11BrCl3FO4/c18-11-8-10(22)4-5-14(11)25-15(23)2-1-3-16(24)26-17-12(20)6-9(19)7-13(17)21/h4-8H,1-3H2
- InChI Key
- YBAKLUPCFWJZBV-UHFFFAOYSA-N
- Formula
- C17H11BrCl3FO4
- SMILES
-
O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1C
l)Oc1ccc(F)cc1Br - Molecular Weight1
- 484.53
- 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).
- 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° | -415.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.38 | kJ/mol | Joback Calculated Property |
| log10WS | -7.72 | Crippen Calculated Property | |
| logPoct/wat | 6.230 | Crippen Calculated Property | |
| McVol | 273.740 | ml/mol | McGowan Calculated Property |
| Pc | 1961.34 | kPa | Joback Calculated Property |
| Inp | [3004.00; 3004.00] |
|
|
| Inp | 3004.00 | NIST | |
| Inp | 3004.00 | NIST | |
| Tboil | 996.92 | K | Joback Calculated Property |
| Tc | 1242.12 | K | Joback Calculated Property |
| Tfus | 691.26 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.54; 725.50] | J/mol×K | [996.92; 1242.12] |
|
| Cp,gas | 699.54 | J/mol×K | 996.92 | Joback Calculated Property |
| Cp,gas | 706.64 | J/mol×K | 1037.79 | Joback Calculated Property |
| Cp,gas | 712.60 | J/mol×K | 1078.65 | Joback Calculated Property |
| Cp,gas | 717.44 | J/mol×K | 1119.52 | Joback Calculated Property |
| Cp,gas | 721.19 | J/mol×K | 1160.38 | Joback Calculated Property |
| Cp,gas | 723.87 | J/mol×K | 1201.25 | Joback Calculated Property |
| Cp,gas | 725.50 | J/mol×K | 1242.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 2-bromo-4-fluorophenyl ester.
Sources
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