- InChI
- InChI=1S/C18H10Cl3F5O4/c19-7-4-9(20)18(10(21)5-7)30-12(28)3-1-2-11(27)29-6-8-13(22)15(24)17(26)16(25)14(8)23/h4-5H,1-3,6H2
- InChI Key
- HAMSANOUJCSSOD-UHFFFAOYSA-N
- Formula
- C18H10Cl3F5O4
- SMILES
-
O=C(CCCC(=O)Oc1c(Cl)cc(Cl)cc1C
l)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 491.62
- 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° | -1229.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1550.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.89 | kJ/mol | Joback Calculated Property |
| log10WS | -8.15 | Crippen Calculated Property | |
| logPoct/wat | 6.161 | Crippen Calculated Property | |
| McVol | 277.410 | ml/mol | McGowan Calculated Property |
| Pc | 1426.15 | kPa | Joback Calculated Property |
| Inp | [2655.00; 2655.00] |
|
|
| Inp | 2655.00 | NIST | |
| Inp | 2655.00 | NIST | |
| Tboil | 965.66 | K | Joback Calculated Property |
| Tc | 1186.00 | K | Joback Calculated Property |
| Tfus | 682.65 | K | Joback Calculated Property |
| Vc | 1.113 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [754.68; 783.05] | J/mol×K | [965.66; 1186.00] |
|
| Cp,gas | 754.68 | J/mol×K | 965.66 | Joback Calculated Property |
| Cp,gas | 762.25 | J/mol×K | 1002.38 | Joback Calculated Property |
| Cp,gas | 768.69 | J/mol×K | 1039.11 | Joback Calculated Property |
| Cp,gas | 774.00 | J/mol×K | 1075.83 | Joback Calculated Property |
| Cp,gas | 778.16 | J/mol×K | 1112.55 | Joback Calculated Property |
| Cp,gas | 781.18 | J/mol×K | 1149.28 | Joback Calculated Property |
| Cp,gas | 783.05 | J/mol×K | 1186.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl pentafluorobenzyl ester.
Sources
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