- InChI
- InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
- InChI Key
- BULLJMKUVKYZDJ-UHFFFAOYSA-N
- Formula
- C6F13I
- SMILES
-
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C
(F)(F)C(F)(F)I - Molecular Weight1
- 445.94
- Other Names
-
- Perfluoro-n-hexyl iodide
- 1-Iodoperfluorohexane
- Tridecafluorohexyl iodide
- Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodo-
- 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane
- 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).
- 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 | 0.4526 | Relay (1.0) Calculated Property | |
| ΔfG° | -2457.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2696.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.118 | Crippen Calculated Property | |
| McVol | 144.230 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Tboil | 385.94 | K | Relay (1.0) Calculated Property |
| Tc | 526.14 | K | Relay (1.0) Calculated Property |
| Tfus | 215.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.55; 385.46] | J/mol×K | [400.95; 547.74] | 
|
| Cp,gas | 328.55 | J/mol×K | 400.95 | Joback Calculated Property |
| Cp,gas | 340.42 | J/mol×K | 425.41 | Joback Calculated Property |
| Cp,gas | 351.27 | J/mol×K | 449.88 | Joback Calculated Property |
| Cp,gas | 361.14 | J/mol×K | 474.34 | Joback Calculated Property |
| Cp,gas | 370.09 | J/mol×K | 498.81 | Joback Calculated Property |
| Cp,gas | 378.18 | J/mol×K | 523.27 | Joback Calculated Property |
| Cp,gas | 385.46 | J/mol×K | 547.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 330.50 ± 0.50 | K | 11.00 | NIST |
Similar Compounds
Find more compounds similar to TRIDECAFLUOROHEXYL IODIDE.
Sources
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