- InChI
- InChI=1S/C13H4F6O2/c14-6-4-2-1-3-5(6)13(20)21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4H
- InChI Key
- IHTAXFVWOYSVBK-UHFFFAOYSA-N
- Formula
- C13H4F6O2
- SMILES
-
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1c
cccc1F - Molecular Weight1
- 306.16
- 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 | 0.6498 | Relay (... Calculated Property | |
| ΔfG° | -1177.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.09 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.66 | kJ/mol | Relay (... Calculated Property |
| IE | 9.20 | eV | Relay (... Calculated Property |
| log10WS | -6.26 | Relay (... Calculated Property | |
| logPoct/wat | 3.740 | Crippen Calculated Property | |
| McVol | 164.570 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | 1529.00 | NIST | |
| Tboil | 525.84 | K | Relay (... Calculated Property |
| Tc | 767.32 | K | Relay (... Calculated Property |
| Tfus | 308.38 | K | Relay (... Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.58; 459.13] | J/mol×K | [651.99; 845.58] | 
|
| Cp,gas | 408.58 | J/mol×K | 651.99 | Joback Calculated Property |
| Cp,gas | 418.46 | J/mol×K | 684.26 | Joback Calculated Property |
| Cp,gas | 427.76 | J/mol×K | 716.52 | Joback Calculated Property |
| Cp,gas | 436.47 | J/mol×K | 748.79 | Joback Calculated Property |
| Cp,gas | 444.60 | J/mol×K | 781.05 | Joback Calculated Property |
| Cp,gas | 452.15 | J/mol×K | 813.32 | Joback Calculated Property |
| Cp,gas | 459.13 | J/mol×K | 845.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, pentafluorophenyl ester.
Sources
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