- InChI
- InChI=1S/C13H15F3O3/c1-13(2,3)6-19-12(17)7-5-8(14)10(16)11(18-4)9(7)15/h5H,6H2,1-4H3
- InChI Key
- NPFGROSBKBLGQG-UHFFFAOYSA-N
- Formula
- C13H15F3O3
- SMILES
-
COc1c(F)c(F)cc(C(=O)OCC(C)(C)C
)c1F - Molecular Weight1
- 276.25
- 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° | -788.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1095.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.315 | Crippen Calculated Property | |
| McVol | 188.890 | ml/mol | McGowan Calculated Property |
| Pc | 1920.30 | kPa | Joback Calculated Property |
| Inp | 1533.00 | NIST | |
| Tboil | 636.73 | K | Joback Calculated Property |
| Tc | 826.71 | K | Joback Calculated Property |
| Tfus | 411.35 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.08; 564.99] | J/mol×K | [636.73; 826.71] | 
|
| Cp,gas | 495.08 | J/mol×K | 636.73 | Joback Calculated Property |
| Cp,gas | 508.45 | J/mol×K | 668.39 | Joback Calculated Property |
| Cp,gas | 521.12 | J/mol×K | 700.06 | Joback Calculated Property |
| Cp,gas | 533.11 | J/mol×K | 731.72 | Joback Calculated Property |
| Cp,gas | 544.41 | J/mol×K | 763.39 | Joback Calculated Property |
| Cp,gas | 555.03 | J/mol×K | 795.05 | Joback Calculated Property |
| Cp,gas | 564.99 | J/mol×K | 826.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, neopentyl ester.
Sources
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