Diisopropyl ether
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChIKey: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
- CAS Registry Number: 108-20-3
- 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: Propane, 2,2'-oxybis-; Isopropyl ether; Diisopropyl oxide; 2-Isopropoxypropane; Diiospropyl ether; 2,2'-Oxybispropane; (iso-C3H7)2O; 1,1'-Dimethyldiethyl ether; Ether, isopropyl; Ether isopropylique; Izopropylowy eter; UN 1159; Bis(isopropyl) ether
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -76.1 ± 0.6 | kcal/mol | Ccb | Colomina, Pell, et al., 1965 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
43.611 | 360.04 | Andon R.J.L., 1974 | GT |
45.652 | 380.01 | ||
47.641 | 399.98 | ||
50.096 | 424.98 | ||
52.369 | 449.98 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -84.01 ± 0.34 | kcal/mol | Ccb | Colomina, Pell, et al., 1965 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -958.51 ± 0.32 | kcal/mol | Ccb | Colomina, Pell, et al., 1965 | Corresponding ΔfHºliquid = -84.00 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 72.80 | cal/mol*K | N/A | Andon, Counsell, et al., 1974 | DH |
S°liquid | 70.41 | cal/mol*K | N/A | Parks, Huffman, et al., 1933 | Extrapolation below 90 K, 61.30 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
51.802 | 298.15 | Grolier, Roux-Desgranges, et al., 1993 | DH |
51.65 | 298.15 | Andon, Counsell, et al., 1974 | T = 10 to 340 K.; DH |
51.699 | 293.1 | Parks, Huffman, et al., 1933 | T = 92 to 213 K. Value is unsmoothed experimental datum.; DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.20 ± 0.05 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 204.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 197.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.16 ± 0.05 | EI | Williams and Hamill, 1968 | RDSH |
9.20 ± 0.05 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.32 | PE | Aue and Bowers, 1979 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H7+ | 11.3 ± 0.1 | ? | EI | Williams and Hamill, 1968 | RDSH |
C3H7O+ | 11.59 ± 0.05 | C3H7 | EI | Williams and Hamill, 1968 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Colomina, Pell, et al., 1965
Colomina, M.; Pell, A.S.; Skinner, H.A.; Coleman, D.J.,
Heats of combustion of four dialkylethers,
Trans. Faraday Soc., 1965, 61, 2641. [all data]
Andon R.J.L., 1974
Andon R.J.L.,
Thermodynamic properties of organic oxygen compounds. Part 36. Heat capacity of isopropyl ether,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1914-1917. [all data]
Andon, Counsell, et al., 1974
Andon, R.J.L.; Counsell, J.F.; Lee, D.A.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. Part 36. Heat capacity of isopropyl ether,
J. Chem. Soc. Faraday Trans., 1974, I 70, 1914-1917. [all data]
Parks, Huffman, et al., 1933
Parks, G.S.; Huffman, H.M.; Barmore, M.,
Thermal data on organic compounds. XI. The heat capacities,
entropies and free energies of ten compounds containing oxygen or nitrogen. J. Am. Chem. Soc., 1933, 55, 2733-2740. [all data]
Grolier, Roux-Desgranges, et al., 1993
Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E.,
Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide,
J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H.,
Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer,
J. Chem. Phys., 1968, 49, 4467. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T.,
Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements
in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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