- Formula: C6H12O
- Molecular weight: 100.1589
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: PJGSXYOJTGTZAV-UHFFFAOYSA-N
- CAS Registry Number: 75-97-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: tert-Butyl methyl ketone; Methyl tert-butyl ketone; Pinacolin; Pinacoline; Pinacolone; 2,2-Dimethyl-3-butanone; 2,2-Dimethylbutanone; 3,3-Dimethyl-2-butanone; 3,3-Dimethylbutanone; tert-C4H9COCH3; Ketone, tert-butyl methyl; 1,1,1-Trimethylacetone; t-Butyl methyl ketone; Ketone, t-butyl methyl; Methyl t-butyl ketone; Pinakolin; 1,1-Dimethylethyl methyl ketone; 3,3-Dimethyl-butan-2-one; NSC 935
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Condensed phase thermochemistry data
Go To: Top, 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
|fH°liquid||-78.523 ± 0.067||kcal/mol||Ccb||Harrop, Head, et al., 1970||ht. of vaporization was from a private communication; ALS|
|cH°liquid||-895.67 ± 0.19||kcal/mol||Ccb||Harrop, Head, et al., 1970||ht. of vaporization was from a private communication; Corresponding «DELTA»fHºliquid = -78.525 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS|
|S°liquid||67.50||cal/mol*K||N/A||Andon, Counsell, et al., 1970||DH|
Constant pressure heat capacity of liquid
|Cp,liquid (cal/mol*K)||Temperature (K)||Reference||Comment|
|49.45||298.15||Andon, Counsell, et al., 1970||T = 10 to 360 K.; DH|
|49.55||298.15||Harrop, Head, et al., 1970||DH|
Go To: Top, Condensed phase thermochemistry data, Notes
Harrop, Head, et al., 1970
Harrop, D.; Head, A.J.; Lewis, G.B., Thermodynamic properties of organic oxygen compounds. 22. Enthalpies of combustion of some aliphatic ketones, J. Chem. Thermodyn., 1970, 2, 203-210. [all data]
Andon, Counsell, et al., 1970
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XXIII. Low-temperature heat capacity and entropy of C6, C7, and C9 ketones, 1970, J. [all data]
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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