- InChI
- InChI=1S/C13H11F3O2/c1-3-5-8(4-2)18-13(17)9-6-7-10(14)12(16)11(9)15/h6-8H,4H2,1-2H3
- InChI Key
- GNXAAQHQJHHCOH-UHFFFAOYSA-N
- Formula
- C13H11F3O2
- SMILES
- CC#CC(CC)OC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 256.22
- 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 | 0.5281 | Relay (... Calculated Property | |
| ΔfG° | -475.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.73 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.63 | kJ/mol | Relay (... Calculated Property |
| IE | 9.29 | eV | Relay (... Calculated Property |
| log10WS | -4.64 | Relay (... Calculated Property | |
| logPoct/wat | 3.063 | Crippen Calculated Property | |
| McVol | 174.420 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | [1522.70; 1522.70] |
|
|
| Inp | 1522.70 | NIST | |
| Inp | 1522.70 | NIST | |
| Tboil | 510.87 | K | Relay (... Calculated Property |
| Tc | 722.02 | K | Relay (... Calculated Property |
| Tfus | 288.99 | K | Relay (... Calculated Property |
| Vc | 0.618 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.07; 492.36] | J/mol×K | [621.12; 825.25] |
|
| Cp,gas | 426.07 | J/mol×K | 621.12 | Joback Calculated Property |
| Cp,gas | 438.79 | J/mol×K | 655.14 | Joback Calculated Property |
| Cp,gas | 450.84 | J/mol×K | 689.16 | Joback Calculated Property |
| Cp,gas | 462.22 | J/mol×K | 723.18 | Joback Calculated Property |
| Cp,gas | 472.93 | J/mol×K | 757.21 | Joback Calculated Property |
| Cp,gas | 482.97 | J/mol×K | 791.23 | Joback Calculated Property |
| Cp,gas | 492.36 | J/mol×K | 825.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzoic acid, hex-4-yn-3-yl ester.
Sources
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