- InChI
- InChI=1S/C15H9F3O4/c1-21-14(19)8-2-4-9(5-3-8)15(20)22-11-7-6-10(16)12(17)13(11)18/h2-7H,1H3
- InChI Key
- QRBPJEAKFBBPQY-UHFFFAOYSA-N
- Formula
- C15H9F3O4
- SMILES
-
COC(=O)c1ccc(C(=O)Oc2ccc(F)c(F
)c2F)cc1 - Molecular Weight1
- 310.22
- 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° | -790.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1003.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 3.110 | Crippen Calculated Property | |
| McVol | 194.880 | ml/mol | McGowan Calculated Property |
| Pc | 2269.73 | kPa | Joback Calculated Property |
| Inp | 2249.00 | NIST | |
| Tboil | 766.27 | K | Joback Calculated Property |
| Tc | 981.75 | K | Joback Calculated Property |
| Tfus | 507.82 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.16; 577.25] | J/mol×K | [766.27; 981.75] | 
|
| Cp,gas | 524.16 | J/mol×K | 766.27 | Joback Calculated Property |
| Cp,gas | 535.31 | J/mol×K | 802.18 | Joback Calculated Property |
| Cp,gas | 545.53 | J/mol×K | 838.10 | Joback Calculated Property |
| Cp,gas | 554.83 | J/mol×K | 874.01 | Joback Calculated Property |
| Cp,gas | 563.22 | J/mol×K | 909.92 | Joback Calculated Property |
| Cp,gas | 570.69 | J/mol×K | 945.83 | Joback Calculated Property |
| Cp,gas | 577.25 | J/mol×K | 981.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, methyl 2,3,4-trifluorophenyl ester.
Sources
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