- InChI
- InChI=1S/C9H6Cl3FO2/c10-9(11,12)5-15-8(14)6-2-1-3-7(13)4-6/h1-4H,5H2
- InChI Key
- SCVBNVMGLBENQO-UHFFFAOYSA-N
- Formula
- C9H6Cl3FO2
- SMILES
- O=C(OCC(Cl)(Cl)Cl)c1cccc(F)c1
- Molecular Weight1
- 271.50
- 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 | 0.5064 | Relay (... Calculated Property | |
| ΔfG° | -334.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.09 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.39 | kJ/mol | Relay (... Calculated Property |
| IE | 9.99 | eV | Relay (... Calculated Property |
| log10WS | -4.57 | Relay (... Calculated Property | |
| logPoct/wat | 3.353 | Crippen Calculated Property | |
| McVol | 159.840 | ml/mol | McGowan Calculated Property |
| Pc | 2899.85 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1571.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Tboil | 545.63 | K | Relay (... Calculated Property |
| Tc | 773.70 | K | Relay (... Calculated Property |
| Tfus | 345.16 | K | Relay (... Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.14; 385.06] | J/mol×K | [621.60; 853.91] |
|
| Cp,gas | 338.14 | J/mol×K | 621.60 | Joback Calculated Property |
| Cp,gas | 347.88 | J/mol×K | 660.32 | Joback Calculated Property |
| Cp,gas | 356.79 | J/mol×K | 699.04 | Joback Calculated Property |
| Cp,gas | 364.92 | J/mol×K | 737.76 | Joback Calculated Property |
| Cp,gas | 372.31 | J/mol×K | 776.48 | Joback Calculated Property |
| Cp,gas | 379.00 | J/mol×K | 815.19 | Joback Calculated Property |
| Cp,gas | 385.06 | J/mol×K | 853.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, 2,2,2-trichloroethyl ester.
Sources
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