- InChI
- InChI=1S/C9H5Cl4FO2/c10-6-3-1-2-5(7(6)14)8(15)16-4-9(11,12)13/h1-3H,4H2
- InChI Key
- AEOVZPHQDDCQEM-UHFFFAOYSA-N
- Formula
- C9H5Cl4FO2
- SMILES
-
O=C(OCC(Cl)(Cl)Cl)c1cccc(Cl)c1
F - Molecular Weight1
- 305.94
- 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 | 0.5300 | Relay (... Calculated Property | |
| ΔfG° | -355.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.72 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.61 | kJ/mol | Relay (... Calculated Property |
| IE | 10.06 | eV | Relay (... Calculated Property |
| log10WS | -5.34 | Relay (... Calculated Property | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 172.080 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | [1811.00; 1811.00] |
|
|
| Inp | 1811.00 | NIST | |
| Inp | 1811.00 | NIST | |
| Tboil | 565.39 | K | Relay (... Calculated Property |
| Tc | 802.20 | K | Relay (... Calculated Property |
| Tfus | 355.46 | K | Relay (... Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.87; 397.48] | J/mol×K | [664.01; 900.27] |
|
| Cp,gas | 356.87 | J/mol×K | 664.01 | Joback Calculated Property |
| Cp,gas | 365.41 | J/mol×K | 703.39 | Joback Calculated Property |
| Cp,gas | 373.18 | J/mol×K | 742.76 | Joback Calculated Property |
| Cp,gas | 380.22 | J/mol×K | 782.14 | Joback Calculated Property |
| Cp,gas | 386.59 | J/mol×K | 821.52 | Joback Calculated Property |
| Cp,gas | 392.33 | J/mol×K | 860.90 | Joback Calculated Property |
| Cp,gas | 397.48 | J/mol×K | 900.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2,2,2-trichloroethyl ester.
Sources
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