- InChI
- InChI=1S/C15H17F3O2/c1-2-3-4-10-20-14(19)9-8-12-6-5-7-13(11-12)15(16,17)18/h5-9,11H,2-4,10H2,1H3/b9-8+
- InChI Key
- AKOQLJKRQZZNGF-CMDGGOBGSA-N
- Formula
- C15H17F3O2
- SMILES
-
CCCCCOC(=O)C=Cc1cccc(C(F)(F)F)
c1 - Molecular Weight1
- 286.29
- 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 | 0.6525 | Relay (1.0) Calculated Property | |
| ΔfG° | -557.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -973.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.452 | Crippen Calculated Property | |
| McVol | 206.900 | ml/mol | McGowan Calculated Property |
| Pc | 1795.46 | kPa | Joback Calculated Property |
| Inp | 1725.00 | NIST | |
| Tboil | 560.01 | K | Relay (1.0) Calculated Property |
| Tc | 743.38 | K | Relay (1.0) Calculated Property |
| Tfus | 303.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.47; 626.99] | J/mol×K | [649.29; 840.65] | 
|
| Cp,gas | 551.47 | J/mol×K | 649.29 | Joback Calculated Property |
| Cp,gas | 566.14 | J/mol×K | 681.18 | Joback Calculated Property |
| Cp,gas | 579.92 | J/mol×K | 713.08 | Joback Calculated Property |
| Cp,gas | 592.85 | J/mol×K | 744.97 | Joback Calculated Property |
| Cp,gas | 604.97 | J/mol×K | 776.86 | Joback Calculated Property |
| Cp,gas | 616.33 | J/mol×K | 808.75 | Joback Calculated Property |
| Cp,gas | 626.99 | J/mol×K | 840.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-(Trifluoromethyl)cinnamic acid, pentyl ester.
Sources
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