- InChI
- InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
- InChI Key
- ANRMAUMHJREENI-ZZXKWVIFSA-N
- Formula
- C10H7F3O2
- SMILES
- O=C(O)C=Cc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 216.16
- CAS
- 2062-26-2
- Other Names
-
- 2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-
- 3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid
- p-(trifluoromethyl)cinnamic acid
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6732 | Relay (1.0) Calculated Property | |
| ΔfG° | -631.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.803 | Crippen Calculated Property | |
| McVol | 136.450 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| Tboil | 542.17 | K | Relay (1.0) Calculated Property |
| Tc | 721.77 | K | Relay (1.0) Calculated Property |
| Tfus | 428.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.10; 381.19] | J/mol×K | [604.65; 798.05] | 
|
| Cp,gas | 334.10 | J/mol×K | 604.65 | Joback Calculated Property |
| Cp,gas | 343.51 | J/mol×K | 636.88 | Joback Calculated Property |
| Cp,gas | 352.23 | J/mol×K | 669.12 | Joback Calculated Property |
| Cp,gas | 360.31 | J/mol×K | 701.35 | Joback Calculated Property |
| Cp,gas | 367.79 | J/mol×K | 733.58 | Joback Calculated Property |
| Cp,gas | 374.74 | J/mol×K | 765.82 | Joback Calculated Property |
| Cp,gas | 381.19 | J/mol×K | 798.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Trifluoromethylcinnamic acid.
Sources
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