Benzene, pentafluoroiodo-
- Formula: C6F5I
- Molecular weight: 293.9607
- IUPAC Standard InChI: InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
- IUPAC Standard InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N
- CAS Registry Number: 827-15-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Iodopentafluorobenzene; Pentafluoroiodobenzene; Pentafluorophenyl iodide; Iodoperfluorobenzene; 2,3,4,5,6-Pentafluoroiodobenzene; Perfluoroiodobenzene; 1,2,3,4,5-Pentafluoro-6-iodo-benzene
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -738.9 | kJ/mol | Semi | Stewart, 2004 | |
| ΔfH°gas | -549. ± 13. | kJ/mol | Ccb | Krech, Price, et al., 1974 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -557. ± 13. kJ/mol; ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -2201. ± 13. | kJ/mol | Ccb | Krech, Price, et al., 1974 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -2328.5 kJ/mol |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 434.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 439. | K | N/A | PCR Inc., 1990 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 57.9 ± 0.2 | kJ/mol | V | Krech, Price, et al., 1974 | ALS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stewart, 2004
Stewart, J.J.P.,
Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation,
J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6
. [all data]
Krech, Price, et al., 1974
Krech, M.J.; Price, S.J.W.; Yared, W.F.,
Determination of ΔHf2980(C6F5I,g) from studies of the combustion of iodopentafluorobenzene in oxygen and calculation of D(C6F5-X) bond dissociation energies,
Can. J. Chem., 1974, 52, 2673-2678. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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