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- Formula: C13H20O
- Molecular weight: 192.2973
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: PSQYTAPXSHCGMF-BQYQJAHWSA-N
- CAS Registry Number: 79-77-6
- Chemical structure:
This structure is also available as a 2d Mol file
- Species with the same structure:
- Other names: 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; (E)-«beta»-Ionone; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; «beta»-E-Ionone; [E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; «beta»-Ionone; «beta»-lonone; «beta»-Ionone isomer # 1; (E)-4-(2,6,6-Trimethylcyclohexen-1-yl)-3-buten-2-one; (3E)-4-(2,6,6-trimethylcyclohex-1-enyl)-3-buten-2-one (dihydro-«beta»-ionone)
- Information on this page:
- Other data available:
Data at NIST subscription sites:
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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||-261.5 ± 3.5||kJ/mol||Ccb||Gerasimov, Gubareva, et al., 1985||ALS|
|cH°liquid||-7712.4 ± 3.5||kJ/mol||Ccb||Gerasimov, Gubareva, et al., 1985||Corresponding «DELTA»fHºliquid = -261.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS|
Constant pressure heat capacity of liquid
|Cp,liquid (J/mol*K)||Temperature (K)||Reference||Comment|
|388.4||313.60||Baglay, Gurariy, et al., 1988||T = 270 to 340 K. Unsmoothed experimental datum.; DH|
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Reduced pressure boiling point
|Tboil (K)||Pressure (bar)||Reference||Comment|
|400.2||0.016||Aldrich Chemical Company Inc., 1990||BS|
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Reference||Comment|
|49.6 ± 1.1||408.||Baglay, Gurariy, et al., 1988||Based on data from 373. - 442. K.; AC|
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Select a region with data to zoom. Select a region with no data or click the mouse on the plot to revert to the orginal display.
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View image of digitized spectrum (can be printed in landscape orientation).
Download spectrum in JCAMP-DX format.
|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|Origin||NIST Mass Spectrometry Data Center|
|NIST MS number||341919|
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Gerasimov, Gubareva, et al., 1985
Gerasimov, P.A.; Gubareva, A.I.; Beregovykh, V.V.; Blokh, E.L., The Physicochemical properties of a «psi»- and «beta»-ionones, Russ. J. Phys. Chem. (Engl. Transl.), 1985, 59, 1712-1713. [all data]
Baglay, Gurariy, et al., 1988
Baglay, A.K.; Gurariy, L.L.; Kuleshov, G.G., Physical properties of compounds used in vitamin synthesis, J. Chem. Eng. Data, 1988, 33, 512-518. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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