- InChI
- InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11
- InChI Key
- XTGYEAXBNRVNQU-UHFFFAOYSA-N
- Formula
- C3F7I
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)I
- Molecular Weight1
- 295.92
- Other Names
-
- 1,1,1,2,2,3,3-Heptafluoro-3-iodopropane
- 1,1,2,2,3,3,3-Heptafluoro-1-iodopropane
- 1-Iodoheptafluoropropane
- 1-Iodoperfluoropropane
- 1-Perfluoropropyl iodide
- Heptafluoro-1-iodo-n-propane
- Heptafluoro-1-iodopropane
- Heptafluoro-n-propyl iodide
- Heptafluoropropyl iodide
- NSC 66409
- Propane, 1,1,1,2,2,3,3-heptafluoro-3-iodo-
- Propane, heptafluoro-1-iodo-
- n-Heptafluoropropyl iodide
- 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).
- 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 | 0.3085 | Relay (1.0) Calculated Property | |
| ΔfG° | -1322.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1420.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.36 ± 0.01 | eV | NIST |
| logPoct/wat | 3.212 | Crippen Calculated Property | |
| McVol | 91.340 | ml/mol | McGowan Calculated Property |
| Pc | 2900.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tboil | [313.00; 314.00] | K |
|
| Tboil | 314.00 | K | NIST |
| Tboil | 313.00 | K | NIST |
| Tc | 457.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tfus | 178.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.21; 237.17] | 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 | -1.89300e+01 | |||
| Coefficient B | 7.87800e-01 | |||
| Coefficient C | -8.51000e-04 | |||
| Coefficient D | 3.19300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 188.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 204.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 215.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 223.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 228.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 231.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 234.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 237.17 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluoropropyliodide.
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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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