- Formula: C6H12O
- Molecular weight: 100.1589
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: UIHCLUNTQKBZGK-UHFFFAOYSA-N
- CAS Registry Number: 565-61-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: sec-Butyl Methyl ketone; Methyl sec-butyl ketone; Methyl 1-methylpropyl ketone; 3-Methyl-2-pentanone; sec-C4H9COCH3; 3-Methylpentan-2-one
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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
|fH°gas||-284.1 ± 1.3||kJ/mol||Ccb||Dubois and Herzog, 1972||ALS|
Constant pressure heat capacity of gas
|Cp,gas (J/mol*K)||Temperature (K)||Reference||Comment|
|182.46 ± 0.27||395.25||von Geiseler G., 1973||GT|
|183.72 ± 0.28||399.65|
|184.97 ± 0.28||403.75|
|187.36 ± 0.28||411.35|
|188.66 ± 0.28||416.25|
Reaction thermochemistry data
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Data compiled by: 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.
+ = + 2
By formula: C8H18O2 + H2O = C6H12O + 2CH4O
|rH°||19.92 ± 0.046||kJ/mol||Cm||Wiberg and Squires, 1979||liquid phase; Heat of hydrolysis|
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes
Dubois and Herzog, 1972
Dubois, J.-E.; Herzog, H., Heats of formation of aliphatic ketones: Structure correlation based on environment treatment, J. Chem. Soc. Chem. Commun., 1972, 932-933. [all data]
von Geiseler G., 1973
von Geiseler G., The heat capacity and the heat of vaporization of isomeric butylmethylketones and propylacetates, Z. Phys. Chem. (Leipzig), 1973, 252, 170-176. [all data]
Wiberg and Squires, 1979
Wiberg, K.B.; Squires, R.R., Thermodynamics of hydrolysis aliphatic ketals. An entropy component of steric effects, J. Am. Chem. Soc., 1979, 101, 5512-5515. [all data]
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas fH°gas Enthalpy of formation of gas at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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