3-Pentanone, 2,2-dimethyl-
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChI: InChI=1S/C7H14O/c1-5-6(8)7(2,3)4/h5H2,1-4H3
- IUPAC Standard InChIKey: VLNUTKMHYLQCQB-UHFFFAOYSA-N
- CAS Registry Number: 564-04-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: tert-Butyl Ethyl ketone; Ethyl tert-butyl ketone; 2,2-Dimethyl-3-pentanone
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -313.8 ± 1.4 | kJ/mol | Ccr | Seller, 1970 |
Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -356.1 ± 1.4 | kJ/mol | Ccr | Seller, 1970 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4399.3 ± 1.3 | kJ/mol | Ccr | Seller, 1970 | Corresponding ΔfHºliquid = -356.09 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 398. ± 2. | K | AVG | N/A | Average of 13 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 42.3 ± 0.1 | kJ/mol | C | Seller, 1970 | AC |
| ΔvapH° | 42.3 ± 0.1 | kJ/mol | C | Wadsö, Murto, et al., 1966 | AC |
| ΔvapH° | 42.34 ± 0.08 | kJ/mol | C | Wadso, 1966 | ALS |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 1144. | Liu, Yang, et al., 2001 | H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 843. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Seller, 1970
Seller, P.,
Enthalpies of formation of some aliphatic branched ketones,
J. Chem. Thermodyn., 1970, 2, 211-219. [all data]
Wadsö, Murto, et al., 1966
Wadsö, Ingemar; Murto, Maija-Leena; Bergson, Göran; Ehrenberg, L.; Brunvoll, J.; Bunnenberg, E.; Djerassi, Carl; Records, Ruth,
Heats of Vaporization for a Number of Organic Compounds at 25 degrees C.,
Acta Chem. Scand., 1966, 20, 544-552, https://doi.org/10.3891/acta.chem.scand.20-0544
. [all data]
Wadso, 1966
Wadso, I.,
Acta Chem. Scand., 1966, 20, 544. [all data]
Liu, Yang, et al., 2001
Liu, T.-T.; Yang, T.-S.; Wu, C.-M.,
Changes of volatiles in soy sauce-stewed pork during cold storage and reheating,
J. Sci. Food Agric., 2001, 81, 15, 1547-1552, https://doi.org/10.1002/jsfa.978
. [all data]
Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Characterization of volatile metabolites from 47 Penicillium taxa,
Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, 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 ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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