- InChI
- InChI=1S/C18H19F3O2/c1-5-6-12(4)15(10-7-11(2)3)23-18(22)13-8-9-14(19)17(21)16(13)20/h8-9,12,15H,2,5-6H2,1,3-4H3
- InChI Key
- CBPQGJKFGCIMQC-UHFFFAOYSA-N
- Formula
- C18H19F3O2
- SMILES
-
C=C(C)C#CC(OC(=O)c1ccc(F)c(F)c
1F)C(C)CCC - 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° | -356.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 240.570 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | [1815.30; 1815.30] |
|
|
| Inp | 1815.30 | NIST | |
| Inp | 1815.30 | NIST | |
| Tboil | 731.64 | K | Joback Calculated Property |
| Tc | 933.12 | K | Joback Calculated Property |
| Tfus | 490.91 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.01; 740.95] | J/mol×K | [731.64; 933.12] |
|
| Cp,gas | 663.01 | J/mol×K | 731.64 | Joback Calculated Property |
| Cp,gas | 678.21 | J/mol×K | 765.22 | Joback Calculated Property |
| Cp,gas | 692.49 | J/mol×K | 798.80 | Joback Calculated Property |
| Cp,gas | 705.88 | J/mol×K | 832.38 | Joback Calculated Property |
| Cp,gas | 718.41 | J/mol×K | 865.96 | Joback Calculated Property |
| Cp,gas | 730.09 | J/mol×K | 899.54 | Joback Calculated Property |
| Cp,gas | 740.95 | J/mol×K | 933.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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