2-Octanone
- Formula: C8H16O
- Molecular weight: 128.2120
- IUPAC Standard InChI: InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
- IUPAC Standard InChIKey: ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
- CAS Registry Number: 111-13-7
- 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: n-Hexyl methyl ketone; Hexyl methyl ketone; Methyl hexyl ketone; Methyl n-hexyl ketone; Octan-2-one; n-C6H13COCH3; Octanone-2
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -5050.13 | kJ/mol | Ccr | Geiseler and Ratzsch, 1965 | Corresponding ΔfHºliquid = -384.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -5070.2 | kJ/mol | Ccb | Guinchant, 1918 | Corresponding ΔfHºliquid = -364. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 373.84 | J/mol*K | N/A | Oetting, 1965 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 273.26 | 298.15 | Oetting, 1965 | T = 13 to 330 K.; DH |
| 274.5 | 298. | von Reis, 1881 | T = 291 to 463 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Geiseler and Ratzsch, 1965
Geiseler, V.G.; Ratzsch, M.,
Bildungsenthalpien stellungsisomerer n-Alkanderivate. 1. Mitteilung: Bildungsenthalpien des Octanals und der drei isomeren Octanone,
Ber. Bunsen-Ges. Phys. Chem., 1965, 69, 485-488. [all data]
Guinchant, 1918
Guinchant, M.J.,
Etude sur la fonction acide dans les derives metheniques et methiniques,
Ann. Chem., 1918, 10, 30-84. [all data]
Oetting, 1965
Oetting, F.L.,
Absolute entropies of the methyl alkyl ketones at 298.15 K,
J. Chem. Eng. Data, 1965, 10, 122-125. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Notes
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 ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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