- InChI
- InChI=1S/C17H9F3O2/c18-14-8-7-13(15(19)16(14)20)17(21)22-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H
- InChI Key
- LFBGPSYEVZXCKE-UHFFFAOYSA-N
- Formula
- C17H9F3O2
- SMILES
-
O=C(Oc1ccc2ccccc2c1)c1ccc(F)c(
F)c1F - Molecular Weight1
- 302.25
- 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° | -433.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 4.476 | Crippen Calculated Property | |
| McVol | 196.160 | ml/mol | McGowan Calculated Property |
| Pc | 2284.95 | kPa | Joback Calculated Property |
| Inp | 2165.00 | NIST | |
| Tboil | 754.72 | K | Joback Calculated Property |
| Tc | 982.47 | K | Joback Calculated Property |
| Tfus | 490.90 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.49; 581.71] | J/mol×K | [754.72; 982.47] | 
|
| Cp,gas | 522.49 | J/mol×K | 754.72 | Joback Calculated Property |
| Cp,gas | 534.56 | J/mol×K | 792.68 | Joback Calculated Property |
| Cp,gas | 545.67 | J/mol×K | 830.64 | Joback Calculated Property |
| Cp,gas | 555.88 | J/mol×K | 868.60 | Joback Calculated Property |
| Cp,gas | 565.25 | J/mol×K | 906.55 | Joback Calculated Property |
| Cp,gas | 573.84 | J/mol×K | 944.51 | Joback Calculated Property |
| Cp,gas | 581.71 | J/mol×K | 982.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 2-naphthyl ester.
Sources
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