- InChI
- InChI=1S/C3Cl4F4/c4-2(5,6)1(8,9)3(7,10)11
- InChI Key
- IQJADVFBZGJGSI-UHFFFAOYSA-N
- Formula
- C3Cl4F4
- SMILES
- FC(F)(Cl)C(F)(F)C(Cl)(Cl)Cl
- Molecular Weight1
- 253.84
- CAS
- 2268-46-4
- 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 | 0.2918 | Relay (1.0) Calculated Property | |
| ΔfG° | -844.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -911.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.824 | Crippen Calculated Property | |
| McVol | 109.170 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Tboil | [387.00; 387.70] | K |
|
| Tboil | 387.00 | K | NIST |
| Tboil | 387.70 ± 0.60 | K | NIST |
| Tc | 536.52 | K | Relay (1.0) Calculated Property |
| Tfus | 222.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.16; 239.87] | 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 | 2.67000e+00 | |||
| Coefficient B | 7.40600e-01 | |||
| Coefficient C | -8.02000e-04 | |||
| Coefficient D | 2.98600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 197.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 229.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 233.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 235.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 237.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 239.87 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1,3-tetrachlorotetrafluoropropane.
Sources
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