- InChI
- InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
- InChI Key
- CLKZZEYGXRWYNI-SNAWJCMRSA-N
- Formula
- C10H7F3O3
- SMILES
- O=C(O)C=Cc1cccc(OC(F)(F)F)c1
- Molecular Weight1
- 232.16
- CAS
- 168833-80-5
- 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).
- 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° | -736.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -901.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.683 | Crippen Calculated Property | |
| McVol | 142.320 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Tboil | 627.07 | K | Joback Calculated Property |
| Tc | 819.11 | K | Joback Calculated Property |
| Tfus | 373.49 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.73; 403.25] | J/mol×K | [627.07; 819.11] | 
|
| Cp,gas | 356.73 | J/mol×K | 627.07 | Joback Calculated Property |
| Cp,gas | 365.96 | J/mol×K | 659.08 | Joback Calculated Property |
| Cp,gas | 374.55 | J/mol×K | 691.08 | Joback Calculated Property |
| Cp,gas | 382.54 | J/mol×K | 723.09 | Joback Calculated Property |
| Cp,gas | 389.96 | J/mol×K | 755.10 | Joback Calculated Property |
| Cp,gas | 396.85 | J/mol×K | 787.10 | Joback Calculated Property |
| Cp,gas | 403.25 | J/mol×K | 819.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Trifluoromethoxy)cinnamic acid.
Sources
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