- InChI
- InChI=1S/C16H11F3O2/c17-16(18,19)13-6-4-5-12(11-13)9-10-15(20)21-14-7-2-1-3-8-14/h1-11H/b10-9+
- InChI Key
- IUBRFAFYCVQGIO-MDZDMXLPSA-N
- Formula
- C16H11F3O2
- SMILES
-
O=C(C=Cc1cccc(C(F)(F)F)c1)Oc1c
cccc1 - Molecular Weight1
- 292.25
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5983 | Relay (... Calculated Property | |
| ΔfG° | -436.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.85 | eV | Relay (... Calculated Property |
| log10WS | -5.00 | Relay (... Calculated Property | |
| logPoct/wat | 4.324 | Crippen Calculated Property | |
| McVol | 197.230 | ml/mol | McGowan Calculated Property |
| Pc | 2214.53 | kPa | Joback Calculated Property |
| Inp | 1885.90 | NIST | |
| Tboil | 591.71 | K | Relay (... Calculated Property |
| Tc | 829.70 | K | Relay (... Calculated Property |
| Tfus | 349.02 | K | Relay (... Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.27; 588.20] | J/mol×K | [698.85; 923.57] | 
|
| Cp,gas | 521.27 | J/mol×K | 698.85 | Joback Calculated Property |
| Cp,gas | 534.96 | J/mol×K | 736.30 | Joback Calculated Property |
| Cp,gas | 547.53 | J/mol×K | 773.76 | Joback Calculated Property |
| Cp,gas | 559.05 | J/mol×K | 811.21 | Joback Calculated Property |
| Cp,gas | 569.61 | J/mol×K | 848.66 | Joback Calculated Property |
| Cp,gas | 579.29 | J/mol×K | 886.12 | Joback Calculated Property |
| Cp,gas | 588.20 | J/mol×K | 923.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylcinnamic acid, phenyl ester.
Sources
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