- InChI
- InChI=1S/C20H24ClF5O4/c21-10-5-3-1-2-4-6-11-29-14(27)8-7-9-15(28)30-12-13-16(22)18(24)20(26)19(25)17(13)23/h1-12H2
- InChI Key
- IMOXNQYILXPNMR-UHFFFAOYSA-N
- Formula
- C20H24ClF5O4
- SMILES
-
O=C(CCCC(=O)OCc1c(F)c(F)c(F)c(
F)c1F)OCCCCCCCCCl - Molecular Weight1
- 458.85
- 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° | -1272.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1762.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.31 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 5.718 | Crippen Calculated Property | |
| McVol | 304.870 | ml/mol | McGowan Calculated Property |
| Pc | 1073.57 | kPa | Joback Calculated Property |
| Inp | [2618.00; 2618.00] |
|
|
| Inp | 2618.00 | NIST | |
| Inp | 2618.00 | NIST | |
| Tboil | 894.94 | K | Joback Calculated Property |
| Tc | 1095.70 | K | Joback Calculated Property |
| Tfus | 581.37 | K | Joback Calculated Property |
| Vc | 1.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.44; 1001.83] | J/mol×K | [894.94; 1095.70] |
|
| Cp,gas | 937.44 | J/mol×K | 894.94 | Joback Calculated Property |
| Cp,gas | 950.94 | J/mol×K | 928.40 | Joback Calculated Property |
| Cp,gas | 963.32 | J/mol×K | 961.86 | Joback Calculated Property |
| Cp,gas | 974.59 | J/mol×K | 995.32 | Joback Calculated Property |
| Cp,gas | 984.76 | J/mol×K | 1028.78 | Joback Calculated Property |
| Cp,gas | 993.84 | J/mol×K | 1062.24 | Joback Calculated Property |
| Cp,gas | 1001.83 | J/mol×K | 1095.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl pentafluorobenzyl ester.
Sources
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