- InChI
- InChI=1S/C14H9F3O2/c15-11-6-7-12(16)13(17)10(11)8-19-14(18)9-4-2-1-3-5-9/h1-7H,8H2
- InChI Key
- ZEDUBKCENPXGOW-UHFFFAOYSA-N
- Formula
- C14H9F3O2
- SMILES
- O=C(OCc1c(F)ccc(F)c1F)c1ccccc1
- Molecular Weight1
- 266.22
- 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° | -555.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.461 | Crippen Calculated Property | |
| McVol | 173.350 | ml/mol | McGowan Calculated Property |
| Pc | 2417.12 | kPa | Joback Calculated Property |
| Inp | [1771.00; 1771.00] |
|
|
| Inp | 1771.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Tboil | 662.12 | K | Joback Calculated Property |
| Tc | 875.83 | K | Joback Calculated Property |
| Tfus | 411.87 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.13; 500.23] | J/mol×K | [662.12; 875.83] |
|
| Cp,gas | 437.13 | J/mol×K | 662.12 | Joback Calculated Property |
| Cp,gas | 449.73 | J/mol×K | 697.74 | Joback Calculated Property |
| Cp,gas | 461.47 | J/mol×K | 733.36 | Joback Calculated Property |
| Cp,gas | 472.37 | J/mol×K | 768.97 | Joback Calculated Property |
| Cp,gas | 482.45 | J/mol×K | 804.59 | Joback Calculated Property |
| Cp,gas | 491.73 | J/mol×K | 840.21 | Joback Calculated Property |
| Cp,gas | 500.23 | J/mol×K | 875.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, (2,3,6-trifluorophenyl)methyl ester.
Sources
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