- InChI
- InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2
- InChI Key
- CDZXJJOGDCLNKX-UHFFFAOYSA-N
- Formula
- C4H6F4O2
- SMILES
- OCC(F)(F)C(F)(F)CO
- Molecular Weight1
- 162.08
- CAS
- 425-61-6
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 11.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.242 | Crippen Calculated Property | |
| McVol | 86.040 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Tboil | 359.00 ± 1.00 | K | NIST |
| Tc | 621.02 | K | Relay (1.0) Calculated Property |
| Tfus | 357.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.21; 294.25] | 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 | -1.47480e+01 | |||
| Coefficient B | 7.50600e-01 | |||
| Coefficient C | -6.63800e-04 | |||
| Coefficient D | 2.22200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 204.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 226.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 243.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 269.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 278.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 294.25 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3,3-Tetrafluoro-1,4-butanediol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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