- InChI
- InChI=1S/C20H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-25-20(24)16-13-14-17(21)19(23)18(16)22/h13-14H,2-10,15H2,1H3
- InChI Key
- NJALBNFKWCOINX-UHFFFAOYSA-N
- Formula
- C20H25F3O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1ccc(F)c(
F)c1F - Molecular Weight1
- 354.41
- 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° | -414.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.23 | kJ/mol | Joback Calculated Property |
| log10WS | -7.53 | Crippen Calculated Property | |
| logPoct/wat | 5.795 | Crippen Calculated Property | |
| McVol | 273.050 | ml/mol | McGowan Calculated Property |
| Pc | 1293.00 | kPa | Joback Calculated Property |
| Inp | 2265.40 | NIST | |
| Tboil | 781.72 | K | Joback Calculated Property |
| Tc | 972.44 | K | Joback Calculated Property |
| Tfus | 559.17 | K | Joback Calculated Property |
| Vc | 1.087 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [800.05; 881.82] | J/mol×K | [781.72; 972.44] | 
|
| Cp,gas | 800.05 | J/mol×K | 781.72 | Joback Calculated Property |
| Cp,gas | 815.90 | J/mol×K | 813.51 | Joback Calculated Property |
| Cp,gas | 830.84 | J/mol×K | 845.29 | Joback Calculated Property |
| Cp,gas | 844.88 | J/mol×K | 877.08 | Joback Calculated Property |
| Cp,gas | 858.04 | J/mol×K | 908.86 | Joback Calculated Property |
| Cp,gas | 870.34 | J/mol×K | 940.65 | Joback Calculated Property |
| Cp,gas | 881.82 | J/mol×K | 972.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester.
Sources
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