- InChI
- InChI=1S/C18H19F3O2/c1-12(2)9-10-14(11-13(3)4)23-17(22)15-7-5-6-8-16(15)18(19,20)21/h5-8,13-14H,1,11H2,2-4H3
- InChI Key
- GISQIEQNVVNMTC-UHFFFAOYSA-N
- Formula
- C18H19F3O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc
c1C(F)(F)F - Molecular Weight1
- 324.34
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -334.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.10 | Crippen Calculated Property | |
| logPoct/wat | 4.856 | Crippen Calculated Property | |
| McVol | 240.570 | ml/mol | McGowan Calculated Property |
| Pc | 1629.85 | kPa | Joback Calculated Property |
| Inp | [1743.00; 1743.00] |
|
|
| Inp | 1743.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Tboil | 718.45 | K | Joback Calculated Property |
| Tc | 927.44 | K | Joback Calculated Property |
| Tfus | 468.29 | K | Joback Calculated Property |
| Vc | 0.934 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.83; 747.12] | J/mol×K | [718.45; 927.44] |
|
| Cp,gas | 666.83 | J/mol×K | 718.45 | Joback Calculated Property |
| Cp,gas | 682.70 | J/mol×K | 753.28 | Joback Calculated Property |
| Cp,gas | 697.49 | J/mol×K | 788.11 | Joback Calculated Property |
| Cp,gas | 711.27 | J/mol×K | 822.95 | Joback Calculated Property |
| Cp,gas | 724.10 | J/mol×K | 857.78 | Joback Calculated Property |
| Cp,gas | 736.03 | J/mol×K | 892.61 | Joback Calculated Property |
| Cp,gas | 747.12 | J/mol×K | 927.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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