- InChI
- InChI=1S/C8H6F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
- InChI Key
- IWKPBYPUIPVYNZ-UHFFFAOYSA-N
- Formula
- C8H6F4
- SMILES
- Cc1c(F)c(F)c(C)c(F)c1F
- Molecular Weight1
- 178.13
- CAS
- 703-87-7
- 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).
- 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 | 0.3999 | Relay (1.0) Calculated Property | |
| ΔfG° | -698.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.860 | Crippen Calculated Property | |
| McVol | 106.900 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Tboil | 416.70 | K | NIST |
| Tc | 615.73 | K | Relay (1.0) Calculated Property |
| Tfus | 309.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.421 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.48; 326.61] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.75700e+01 | |||
| Coefficient B | 4.34640e-01 | |||
| Coefficient C | -1.73000e-04 | |||
| Coefficient D | 7.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 214.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 256.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 274.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 290.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 304.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 316.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 326.61 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5,6-Tetrafluoro-p-xylene.
Sources
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