- InChI
- InChI=1S/C14H9F3O3/c1-19-13-11(16)9(7-10(15)12(13)17)14(18)20-8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key
- JLPDXBRAYFXHIQ-UHFFFAOYSA-N
- Formula
- C14H9F3O3
- SMILES
-
COc1c(F)c(F)cc(C(=O)Oc2ccccc2)
c1F - Molecular Weight1
- 282.21
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6805 | Relay (1.0) Calculated Property | |
| ΔfG° | -670.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.332 | Crippen Calculated Property | |
| McVol | 179.220 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | 1841.00 | NIST | |
| Tboil | 578.77 | K | Relay (1.0) Calculated Property |
| Tc | 826.21 | K | Relay (1.0) Calculated Property |
| Tfus | 336.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.661 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [460.63; 521.47] | J/mol×K | [689.52; 901.81] | 
|
| Cp,gas | 460.63 | J/mol×K | 689.52 | Joback Calculated Property |
| Cp,gas | 472.83 | J/mol×K | 724.90 | Joback Calculated Property |
| Cp,gas | 484.20 | J/mol×K | 760.28 | Joback Calculated Property |
| Cp,gas | 494.75 | J/mol×K | 795.67 | Joback Calculated Property |
| Cp,gas | 504.48 | J/mol×K | 831.05 | Joback Calculated Property |
| Cp,gas | 513.39 | J/mol×K | 866.43 | Joback Calculated Property |
| Cp,gas | 521.47 | J/mol×K | 901.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, phenyl ester.
Sources
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