- InChI
- InChI=1S/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2
- InChI Key
- AFHPVXVEXINDFS-UHFFFAOYSA-N
- Formula
- C4H2F7I
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)CI
- Molecular Weight1
- 309.95
- CAS
- 374-98-1
- Other Names
-
- Heptafluorobutyl iodide
- 2,2,3,3,4,4,4-Heptafluoro-1-iodobutane
- 1H,1H-Heptafluoro-1-iodobutane
- 1H,1H-Heptafluorobutyl iodide
- 1-Iodo-1H,1H-perfluorobutane
- 1,1,1,2,2,3,3-heptafluoro-4-iodobutane
- ω : Acentric Factor.
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3379 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1466.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.84 | kJ/mol | Joback Calculated Property |
| IE | 9.96 ± 0.02 | eV | NIST |
| logPoct/wat | 3.254 | Crippen Calculated Property | |
| McVol | 105.430 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Tboil | 356.50 | K | Relay (1.0) Calculated Property |
| Tc | 501.96 | K | Relay (1.0) Calculated Property |
| Tfus | 171.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 364.30 ± 0.30 | K | 98.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.43; 288.76] | 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 | -1.98390e+01 | |||
| Coefficient B | 8.82800e-01 | |||
| Coefficient C | -9.05400e-04 | |||
| Coefficient D | 3.31200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 219.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 239.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 265.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 273.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 279.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 283.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 288.76 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,1,1,2,2,3,3-heptafluoro-4-iodo-.
Sources
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