- InChI
- InChI=1S/C4F8/c5-2(6)1(3(7,8)9)4(10,11)12
- InChI Key
- DAFIBNSJXIGBQB-UHFFFAOYSA-N
- Formula
- C4F8
- SMILES
- FC(F)=C(C(F)(F)F)C(F)(F)F
- Molecular Weight1
- 200.03
- CAS
- 382-21-8
- Other Names
-
- 1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)propene
- 1,1-Difluoro-2,2-bis(trifluoromethyl)ethene
- Isobutene, octafluoro-
- Octafluoro-sec-butene
- Octafluoroisobutene
- Octafluoroisobutylene
- PFIB
- Perfluorisobutylene
- Perfluoro-2-(trifluoromethyl)propene
- Perfluoro-2-methylpropene
- Perfluoroisobutene
- Perfluoroisobutylene
- Propene, 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-
- Propene, pentafluoro-2-(trifluoromethyl)-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1577.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 19.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.262 | Crippen Calculated Property | |
| McVol | 77.080 | ml/mol | McGowan Calculated Property |
| Tboil | 274.97 | K | Relay (1.0) Calculated Property |
| Tfus | 143.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [139.31; 254.07] | 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 | -1.45300e+01 | |||
| Coefficient B | 7.49600e-01 | |||
| Coefficient C | -7.57000e-04 | |||
| Coefficient D | 2.76000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 190.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 208.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 221.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 231.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 238.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 244.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 249.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 254.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 341.12] | kPa | [202.42; 299.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.63442e+01 | |||
| Coefficient B | -2.94460e+03 | |||
| Coefficient C | -1.90320e+01 | |||
| Temperature range, min. | 202.42 | |||
| Temperature range, max. | 299.15 | |||
| Pvap | 1.33 | kPa | 202.42 | Calculated Property |
| Pvap | 3.24 | kPa | 213.17 | Calculated Property |
| Pvap | 7.19 | kPa | 223.92 | Calculated Property |
| Pvap | 14.71 | kPa | 234.66 | Calculated Property |
| Pvap | 28.13 | kPa | 245.41 | Calculated Property |
| Pvap | 50.72 | kPa | 256.16 | Calculated Property |
| Pvap | 86.91 | kPa | 266.91 | Calculated Property |
| Pvap | 142.38 | kPa | 277.65 | Calculated Property |
| Pvap | 224.26 | kPa | 288.40 | Calculated Property |
| Pvap | 341.12 | kPa | 299.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-.
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)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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