- InChI
- InChI=1S/C12H7ClF8O2/c13-7-3-1-6(2-4-7)8(22)23-5-10(16,17)12(20,21)11(18,19)9(14)15/h1-4,9H,5H2
- InChI Key
- IJXZGAWCZPWOKT-UHFFFAOYSA-N
- Formula
- C12H7ClF8O2
- SMILES
-
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F
)F)c1ccc(Cl)cc1 - Molecular Weight1
- 370.62
- 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 | 0.6468 | Relay (1.0) Calculated Property | |
| ΔfG° | -1645.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1936.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.668 | Crippen Calculated Property | |
| McVol | 190.020 | ml/mol | McGowan Calculated Property |
| Pc | 1826.28 | kPa | Joback Calculated Property |
| Inp | [1486.00; 1486.00] |
|
|
| Inp | 1486.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Tboil | 541.37 | K | Relay (1.0) Calculated Property |
| Tc | 717.85 | K | Relay (1.0) Calculated Property |
| Tfus | 322.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.704 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.07; 553.49] | J/mol×K | [603.37; 781.54] |
|
| Cp,gas | 497.07 | J/mol×K | 603.37 | Joback Calculated Property |
| Cp,gas | 508.47 | J/mol×K | 633.06 | Joback Calculated Property |
| Cp,gas | 519.00 | J/mol×K | 662.76 | Joback Calculated Property |
| Cp,gas | 528.72 | J/mol×K | 692.45 | Joback Calculated Property |
| Cp,gas | 537.67 | J/mol×K | 722.15 | Joback Calculated Property |
| Cp,gas | 545.91 | J/mol×K | 751.84 | Joback Calculated Property |
| Cp,gas | 553.49 | J/mol×K | 781.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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