- InChI
- InChI=1S/C17H13F3O3/c1-22-14-6-8-15(9-7-14)23-16(21)10-5-12-3-2-4-13(11-12)17(18,19)20/h2-11H,1H3/b10-5+
- InChI Key
- RKTVYDVWSGSZRZ-BJMVGYQFSA-N
- Formula
- C17H13F3O3
- SMILES
-
COc1ccc(OC(=O)C=Cc2cccc(C(F)(F
)F)c2)cc1 - Molecular Weight1
- 322.28
- 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° | -542.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 4.333 | Crippen Calculated Property | |
| McVol | 217.190 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Inp | 2182.00 | NIST | |
| Tboil | 749.13 | K | Joback Calculated Property |
| Tc | 968.55 | K | Joback Calculated Property |
| Tfus | 452.73 | K | Joback Calculated Property |
| Vc | 0.837 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.43; 664.45] | J/mol×K | [749.13; 968.55] | 
|
| Cp,gas | 598.43 | J/mol×K | 749.13 | Joback Calculated Property |
| Cp,gas | 611.89 | J/mol×K | 785.70 | Joback Calculated Property |
| Cp,gas | 624.29 | J/mol×K | 822.27 | Joback Calculated Property |
| Cp,gas | 635.68 | J/mol×K | 858.84 | Joback Calculated Property |
| Cp,gas | 646.13 | J/mol×K | 895.41 | Joback Calculated Property |
| Cp,gas | 655.70 | J/mol×K | 931.98 | Joback Calculated Property |
| Cp,gas | 664.45 | J/mol×K | 968.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 4-methoxyphenyl ester.
Sources
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