- InChI
- InChI=1S/C13H11F5O2/c14-7-8(15)10(17)12(11(18)9(7)16)20-13(19)6-4-2-1-3-5-6/h6H,1-5H2
- InChI Key
- YTMNGMCPLMPVPK-UHFFFAOYSA-N
- Formula
- C13H11F5O2
- SMILES
-
O=C(Oc1c(F)c(F)c(F)c(F)c1F)C1C
CCCC1 - Molecular Weight1
- 294.22
- 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° | -1060.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1303.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 3.868 | Crippen Calculated Property | |
| McVol | 175.700 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | 1487.00 | NIST | |
| Tboil | 640.61 | K | Joback Calculated Property |
| Tc | 835.72 | K | Joback Calculated Property |
| Tfus | 407.78 | K | Joback Calculated Property |
| Vc | 0.703 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.86; 544.64] | J/mol×K | [640.61; 835.72] | 
|
| Cp,gas | 471.86 | J/mol×K | 640.61 | Joback Calculated Property |
| Cp,gas | 485.96 | J/mol×K | 673.13 | Joback Calculated Property |
| Cp,gas | 499.27 | J/mol×K | 705.65 | Joback Calculated Property |
| Cp,gas | 511.79 | J/mol×K | 738.16 | Joback Calculated Property |
| Cp,gas | 523.52 | J/mol×K | 770.68 | Joback Calculated Property |
| Cp,gas | 534.47 | J/mol×K | 803.20 | Joback Calculated Property |
| Cp,gas | 544.64 | J/mol×K | 835.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, pentafluorophenyl ester.
Sources
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