- InChI
- InChI=1S/C13H12Cl3FO4/c14-8-6-9(15)13(10(16)7-8)21-12(19)3-1-2-11(18)20-5-4-17/h6-7H,1-5H2
- InChI Key
- HLDUSYJSEVZBSG-UHFFFAOYSA-N
- Formula
- C13H12Cl3FO4
- SMILES
-
O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1C
l)OCCF - Molecular Weight1
- 357.59
- 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° | -556.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 4.235 | Crippen Calculated Property | |
| McVol | 223.640 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | [2244.00; 2244.00] |
|
|
| Inp | 2244.00 | NIST | |
| Inp | 2244.00 | NIST | |
| Tboil | 802.60 | K | Joback Calculated Property |
| Tc | 1015.31 | K | Joback Calculated Property |
| Tfus | 534.92 | K | Joback Calculated Property |
| Vc | 0.869 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.61; 611.74] | J/mol×K | [802.60; 1015.31] |
|
| Cp,gas | 563.61 | J/mol×K | 802.60 | Joback Calculated Property |
| Cp,gas | 573.73 | J/mol×K | 838.05 | Joback Calculated Property |
| Cp,gas | 583.01 | J/mol×K | 873.50 | Joback Calculated Property |
| Cp,gas | 591.45 | J/mol×K | 908.96 | Joback Calculated Property |
| Cp,gas | 599.05 | J/mol×K | 944.41 | Joback Calculated Property |
| Cp,gas | 605.82 | J/mol×K | 979.86 | Joback Calculated Property |
| Cp,gas | 611.74 | J/mol×K | 1015.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 2-fluoroethyl ester.
Sources
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