- InChI
- InChI=1S/C12H8ClF5O3/c13-6(19)2-1-3-7(20)21-4-5-8(14)10(16)12(18)11(17)9(5)15/h1-4H2
- InChI Key
- CERKZCLELURDSX-UHFFFAOYSA-N
- Formula
- C12H8ClF5O3
- SMILES
-
O=C(Cl)CCCC(=O)OCc1c(F)c(F)c(F
)c(F)c1F - Molecular Weight1
- 330.63
- 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° | -1234.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1465.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 3.361 | Crippen Calculated Property | |
| McVol | 186.280 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | 1728.00 | NIST | |
| Tboil | 689.48 | K | Joback Calculated Property |
| Tc | 872.25 | K | Joback Calculated Property |
| Tfus | 468.98 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.72; 521.47] | J/mol×K | [689.48; 872.25] | 
|
| Cp,gas | 471.72 | J/mol×K | 689.48 | Joback Calculated Property |
| Cp,gas | 481.34 | J/mol×K | 719.94 | Joback Calculated Property |
| Cp,gas | 490.43 | J/mol×K | 750.40 | Joback Calculated Property |
| Cp,gas | 498.99 | J/mol×K | 780.86 | Joback Calculated Property |
| Cp,gas | 507.02 | J/mol×K | 811.32 | Joback Calculated Property |
| Cp,gas | 514.51 | J/mol×K | 841.79 | Joback Calculated Property |
| Cp,gas | 521.47 | J/mol×K | 872.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monocloride, pentafluorobenzyl ester.
Sources
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