- InChI
- InChI=1S/C19H21F3O2/c1-5-8-14(4)17(12-11-13(2)3)24-18(23)15-9-6-7-10-16(15)19(20,21)22/h6-7,9-10,14,17H,2,5,8H2,1,3-4H3
- InChI Key
- RSQXEBKVKNSXNK-UHFFFAOYSA-N
- Formula
- C19H21F3O2
- SMILES
-
C=C(C)C#CC(OC(=O)c1ccccc1C(F)(
F)F)C(C)CCC - Molecular Weight1
- 338.36
- 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 | 0.6101 | Relay (... Calculated Property | |
| ΔfG° | -326.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -765.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.99 | eV | Relay (... Calculated Property |
| log10WS | -5.48 | Relay (... Calculated Property | |
| logPoct/wat | 5.247 | Crippen Calculated Property | |
| McVol | 254.660 | ml/mol | McGowan Calculated Property |
| Pc | 1510.50 | kPa | Joback Calculated Property |
| Inp | 1832.00 | NIST | |
| Tboil | 569.50 | K | Relay (... Calculated Property |
| Tc | 775.71 | K | Relay (... Calculated Property |
| Tfus | 289.89 | K | Relay (... Calculated Property |
| Vc | 0.889 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.85; 803.66] | J/mol×K | [741.33; 947.92] | 
|
| Cp,gas | 721.85 | J/mol×K | 741.33 | Joback Calculated Property |
| Cp,gas | 737.97 | J/mol×K | 775.76 | Joback Calculated Property |
| Cp,gas | 753.02 | J/mol×K | 810.19 | Joback Calculated Property |
| Cp,gas | 767.05 | J/mol×K | 844.62 | Joback Calculated Property |
| Cp,gas | 780.13 | J/mol×K | 879.06 | Joback Calculated Property |
| Cp,gas | 792.32 | J/mol×K | 913.49 | Joback Calculated Property |
| Cp,gas | 803.66 | J/mol×K | 947.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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