- InChI
- InChI=1S/C17H17F3O2/c1-10(2)5-6-12(9-11(3)4)22-17(21)13-7-8-14(18)16(20)15(13)19/h7-8,11-12H,1,9H2,2-4H3
- InChI Key
- CVPJVVUHNCAXBL-UHFFFAOYSA-N
- Formula
- C17H17F3O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(
F)c(F)c1F - Molecular Weight1
- 310.31
- 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° | -365.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 4.255 | Crippen Calculated Property | |
| McVol | 226.480 | ml/mol | McGowan Calculated Property |
| Pc | 1693.51 | kPa | Joback Calculated Property |
| Inp | 1743.30 | NIST | |
| Tboil | 708.76 | K | Joback Calculated Property |
| Tc | 912.31 | K | Joback Calculated Property |
| Tfus | 479.64 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [608.78; 684.79] | J/mol×K | [708.76; 912.31] | 
|
| Cp,gas | 608.78 | J/mol×K | 708.76 | Joback Calculated Property |
| Cp,gas | 623.60 | J/mol×K | 742.68 | Joback Calculated Property |
| Cp,gas | 637.52 | J/mol×K | 776.61 | Joback Calculated Property |
| Cp,gas | 650.58 | J/mol×K | 810.53 | Joback Calculated Property |
| Cp,gas | 662.80 | J/mol×K | 844.46 | Joback Calculated Property |
| Cp,gas | 674.20 | J/mol×K | 878.38 | Joback Calculated Property |
| Cp,gas | 684.79 | J/mol×K | 912.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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