- InChI
- InChI=1S/C17H14F4O2/c1-2-5-11-6-3-4-7-15(11)23-16(22)12-8-9-13(14(18)10-12)17(19,20)21/h3-4,6-10H,2,5H2,1H3
- InChI Key
- VMRCDXTZDZZKLQ-UHFFFAOYSA-N
- Formula
- C17H14F4O2
- SMILES
-
CCCc1ccccc1OC(=O)c1ccc(C(F)(F)
F)c(F)c1 - Molecular Weight1
- 326.29
- 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° | -722.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -993.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.57 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 5.016 | Crippen Calculated Property | |
| McVol | 217.390 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| Inp | 1811.00 | NIST | |
| Tboil | 726.80 | K | Joback Calculated Property |
| Tc | 933.63 | K | Joback Calculated Property |
| Tfus | 448.69 | K | Joback Calculated Property |
| Vc | 0.857 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.27; 671.73] | J/mol×K | [726.80; 933.63] | 
|
| Cp,gas | 603.27 | J/mol×K | 726.80 | Joback Calculated Property |
| Cp,gas | 617.00 | J/mol×K | 761.27 | Joback Calculated Property |
| Cp,gas | 629.74 | J/mol×K | 795.74 | Joback Calculated Property |
| Cp,gas | 641.53 | J/mol×K | 830.21 | Joback Calculated Property |
| Cp,gas | 652.43 | J/mol×K | 864.69 | Joback Calculated Property |
| Cp,gas | 662.48 | J/mol×K | 899.16 | Joback Calculated Property |
| Cp,gas | 671.73 | J/mol×K | 933.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2-propylphenyl ester.
Sources
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