- InChI
- InChI=1S/C16H10ClF3O2/c17-13-5-7-14(8-6-13)22-15(21)9-4-11-2-1-3-12(10-11)16(18,19)20/h1-10H/b9-4+
- InChI Key
- KGEZOYSXBMQTOI-RUDMXATFSA-N
- Formula
- C16H10ClF3O2
- SMILES
-
O=C(C=Cc1cccc(C(F)(F)F)c1)Oc1c
cc(Cl)cc1 - Molecular Weight1
- 326.70
- 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 | 0.6360 | Relay (1.0) Calculated Property | |
| ΔfG° | -457.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.978 | Crippen Calculated Property | |
| McVol | 209.470 | ml/mol | McGowan Calculated Property |
| Pc | 2110.00 | kPa | Joback Calculated Property |
| Inp | 2112.00 | NIST | |
| Tboil | 614.25 | K | Relay (1.0) Calculated Property |
| Tc | 851.77 | K | Relay (1.0) Calculated Property |
| Tfus | 352.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.727 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.97; 603.64] | J/mol×K | [741.26; 969.54] | 
|
| Cp,gas | 543.97 | J/mol×K | 741.26 | Joback Calculated Property |
| Cp,gas | 556.22 | J/mol×K | 779.31 | Joback Calculated Property |
| Cp,gas | 567.43 | J/mol×K | 817.35 | Joback Calculated Property |
| Cp,gas | 577.70 | J/mol×K | 855.40 | Joback Calculated Property |
| Cp,gas | 587.09 | J/mol×K | 893.45 | Joback Calculated Property |
| Cp,gas | 595.71 | J/mol×K | 931.49 | Joback Calculated Property |
| Cp,gas | 603.64 | J/mol×K | 969.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 4-chlorophenyl ester.
Sources
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