- InChI
- InChI=1S/C15H8F3NO2/c16-15(17,18)12-5-3-11(4-6-12)14(20)21-13-7-1-10(9-19)2-8-13/h1-8H
- InChI Key
- FMQZMNLXCPDUQX-UHFFFAOYSA-N
- Formula
- C15H8F3NO2
- SMILES
-
N#Cc1ccc(OC(=O)c2ccc(C(F)(F)F)
cc2)cc1 - Molecular Weight1
- 291.22
- 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° | -401.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.75 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 3.796 | Crippen Calculated Property | |
| McVol | 188.820 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | 1893.00 | NIST | |
| Tboil | 778.87 | K | Joback Calculated Property |
| Tc | 1010.93 | K | Joback Calculated Property |
| Tfus | 478.03 | K | Joback Calculated Property |
| Vc | 0.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.41; 558.42] | J/mol×K | [778.87; 1010.93] | 
|
| Cp,gas | 509.41 | J/mol×K | 778.87 | Joback Calculated Property |
| Cp,gas | 519.77 | J/mol×K | 817.55 | Joback Calculated Property |
| Cp,gas | 529.17 | J/mol×K | 856.22 | Joback Calculated Property |
| Cp,gas | 537.66 | J/mol×K | 894.90 | Joback Calculated Property |
| Cp,gas | 545.33 | J/mol×K | 933.57 | Joback Calculated Property |
| Cp,gas | 552.23 | J/mol×K | 972.25 | Joback Calculated Property |
| Cp,gas | 558.42 | J/mol×K | 1010.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Trifluoromethylbenzoic acid, 4-cyanophenyl ester.
Sources
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