- InChI
- InChI=1S/C15H8F3NO3/c1-21-14-12(17)10(6-11(16)13(14)18)15(20)22-9-4-2-8(7-19)3-5-9/h2-6H,1H3
- InChI Key
- GCPIQTCGKUSQHB-UHFFFAOYSA-N
- Formula
- C15H8F3NO3
- SMILES
-
COc1c(F)c(F)cc(C(=O)Oc2ccc(C#N
)cc2)c1F - Molecular Weight1
- 307.22
- 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° | -538.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 3.203 | Crippen Calculated Property | |
| McVol | 194.690 | ml/mol | McGowan Calculated Property |
| Pc | 2062.36 | kPa | Joback Calculated Property |
| Inp | 2225.00 | NIST | |
| Tboil | 819.46 | K | Joback Calculated Property |
| Tc | 1041.32 | K | Joback Calculated Property |
| Tfus | 535.40 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.12; 570.37] | J/mol×K | [819.46; 1041.32] | 
|
| Cp,gas | 526.12 | J/mol×K | 819.46 | Joback Calculated Property |
| Cp,gas | 535.79 | J/mol×K | 856.44 | Joback Calculated Property |
| Cp,gas | 544.55 | J/mol×K | 893.41 | Joback Calculated Property |
| Cp,gas | 552.39 | J/mol×K | 930.39 | Joback Calculated Property |
| Cp,gas | 559.31 | J/mol×K | 967.36 | Joback Calculated Property |
| Cp,gas | 565.31 | J/mol×K | 1004.34 | Joback Calculated Property |
| Cp,gas | 570.37 | J/mol×K | 1041.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 4-cyanophenyl ester.
Sources
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