- InChI
- InChI=1S/C12H10ClF5O2/c13-5-3-1-2-4-6(19)20-12-10(17)8(15)7(14)9(16)11(12)18/h1-5H2
- InChI Key
- LUMHPBZXFFOIBC-UHFFFAOYSA-N
- Formula
- C12H10ClF5O2
- SMILES
-
O=C(CCCCCCl)Oc1c(F)c(F)c(F)c(F
)c1F - Molecular Weight1
- 316.65
- 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° | -1105.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1352.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 4.087 | Crippen Calculated Property | |
| McVol | 184.710 | ml/mol | McGowan Calculated Property |
| Pc | 1841.99 | kPa | Joback Calculated Property |
| Inp | 1601.00 | NIST | |
| Tboil | 635.61 | K | Joback Calculated Property |
| Tc | 810.83 | K | Joback Calculated Property |
| Tfus | 419.05 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.61; 514.76] | J/mol×K | [635.61; 810.83] | 
|
| Cp,gas | 458.61 | J/mol×K | 635.61 | Joback Calculated Property |
| Cp,gas | 469.18 | J/mol×K | 664.81 | Joback Calculated Property |
| Cp,gas | 479.27 | J/mol×K | 694.02 | Joback Calculated Property |
| Cp,gas | 488.87 | J/mol×K | 723.22 | Joback Calculated Property |
| Cp,gas | 497.99 | J/mol×K | 752.42 | Joback Calculated Property |
| Cp,gas | 506.62 | J/mol×K | 781.63 | Joback Calculated Property |
| Cp,gas | 514.76 | J/mol×K | 810.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, pentafluorophenyl ester.
Sources
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