Propane, 2-iodo-
- Formula: C3H7I
- Molecular weight: 169.9922
- IUPAC Standard InChI: InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3
- IUPAC Standard InChIKey: FMKOJHQHASLBPH-UHFFFAOYSA-N
- CAS Registry Number: 75-30-9
- 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: Isopropyl iodide; sec-Propyl Iodide; 2-Iodopropane; iso-C3H7I; Isopropyl iodine; 2-Jodpropan; i-Propyl iodide; Propane, iodo-
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Reaction thermochemistry data
Go To: Top, IR Spectrum, Gas Chromatography, References, Notes
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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
= (
•
)
By formula: Li+ + C3H7I = (Li+ • C3H7I)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 29.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
=
By formula: C3H7I = C3H7I
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.06 | kcal/mol | Eqk | Furuyama, Golden, et al., 1969 | gas phase; ALS |
| ΔrH° | -2.9 ± 1.0 | kcal/mol | Ciso | Andreevskii and Rozhnov, 1962 | gas phase; ALS |
2 +
= C6H14Hg + 2
By formula: 2C3H7I + HgI2 = C6H14Hg + 2I2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 57.92 ± 0.46 | kcal/mol | Cm | Mortimer, Pritchard, et al., 1952 | liquid phase; ALS |
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -20.62 | kcal/mol | Eqk | Furuyama, Golden, et al., 1969 | gas phase; ALS |
IR Spectrum
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (40 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- LIQUID; BAIRD (GRATING); 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1333, AND 10% IN CS2 FOR 1333-400 CM-1); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 661. | Helmig and Greenberg, 1995 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Apiezon L | 130. | 670. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 654. | Helmig and Greenberg, 1995 | 60. m/0.33 mm/0.25 μm; Program: not specified |
References
Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Furuyama, Golden, et al., 1969
Furuyama, S.; Golden, D.M.; Benson, S.W.,
Thermochemistry of the gas phase equilibria i-C3H7I = C3H6 + HI, n-C3H7I = i-C3H7I, and C3H6 + 2HI = C3H8 + I2,
J. Chem. Thermodyn., 1969, 1, 363-375. [all data]
Andreevskii and Rozhnov, 1962
Andreevskii, D.N.; Rozhnov, A.M.,
The thermodynamics of alkyl halides. The isomerization of propl iodide,
Neftekhimiya, 1962, 2, 378-383. [all data]
Mortimer, Pritchard, et al., 1952
Mortimer, C.T.; Pritchard, H.O.; Skinner, H.A.,
Thermochemistry of metallic alkyls. Part V - Mercury di-propyl and mercury di-isopropyl,
Trans. Faraday Soc., 1952, 48, 220-229. [all data]
Helmig and Greenberg, 1995
Helmig, D.; Greenberg, J.,
Artifact formation from the use of potassium-iodide-based ozone traps during atmospheric sampling of trace organic gases,
J. Hi. Res. Chromatogr., 1995, 18, 1, 15-18, https://doi.org/10.1002/jhrc.1240180105
. [all data]
Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F.,
Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds,
J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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