1H-Inden-1-one, 2,3-dihydro-
- Formula: C9H8O
- Molecular weight: 132.1592
- IUPAC Standard InChIKey: QNXSIUBBGPHDDE-UHFFFAOYSA-N
- CAS Registry Number: 83-33-0
- 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: 1-Indanone; α-Hydrindone; α-Indanone; Indan-1-one; Indanone; 1-Indone; Indanone-(1); 2,3-Dihydro-1H-inden-1-one; 2,3-Dihydro-1-indenone; 2,3-Dihydro-1-indanone
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Phase change data
Go To: Top, Gas phase ion energetics data, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 517.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 313. | K | N/A | Huckel and Wenzke, 1944 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 351. | K | N/A | Kadesch, 1944 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 313. | K | N/A | Von Auwers, 1918 | Uncertainty assigned by TRC = 4. K; TRC |
Tfus | 315.15 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 78.7 ± 2.8 | kJ/mol | C | Matos, Miranda, et al., 2007 | AC |
ΔsubH° | 83.5 ± 0.7 | kJ/mol | GS | Verevkin, 1998 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
514.7 | 0.985 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
60.3 ± 0.4 | 318. to 348. | GS | Gudiño, Torres, et al., 1998 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.6 | 314.1 | DSC | Matos, Miranda, et al., 2007 | AC |
17.78 | 312.9 | DSC | Verevkin, 1998 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
9.31 | EI | Hansen and Undheim, 1975 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Huckel and Wenzke, 1944
Huckel, W.; Wenzke, U.,
The Association of Aromatic Alcohols,
Z. Phys. Chem. (Leipzig), 1944, 193, 132-61. [all data]
Kadesch, 1944
Kadesch, R.G.,
Some New Aspects of the Ortho Effect. Cyclic Ketones Related to Acetophenone,
J. Am. Chem. Soc., 1944, 66, 1207-13. [all data]
Von Auwers, 1918
Von Auwers, K.,
Justus Liebigs Ann. Chem., 1918, 415, 98. [all data]
Perkin, 1896
Perkin, W.H.,
LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds,
J. Chem. Soc., 1896, 69, 1025-1257. [all data]
Matos, Miranda, et al., 2007
Matos, M. Agostinha R.; Miranda, Margarida S.; Pereira, Susana M.M.; Morais, Victor M.F.; Liebman, Joel F.,
The Experimental and Calculational Thermochemistry of 1,2,4,5-Benzenetetracarboxylic Dianhydride: Is This 10 π Multiring Species Aromatic?,
J. Phys. Chem. A, 2007, 111, 30, 7181-7188, https://doi.org/10.1021/jp071625n
. [all data]
Verevkin, 1998
Verevkin, S.P.,
Thermochemistry of aromatic ketones. Experimental enthalpies of formation and structural effects,
Thermochim. Acta, 1998, 310, 229-235. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Gudiño, Torres, et al., 1998
Gudiño, Ramón; Torres, Luis Alfonso; Santillán, Rosa Luisa; Farfán, Norberto,
The standard molar enthalpies of combustion and vaporization of three oxazolidines,
The Journal of Chemical Thermodynamics, 1998, 30, 6, 671-679, https://doi.org/10.1006/jcht.1997.0317
. [all data]
Hansen and Undheim, 1975
Hansen, P.E.; Undheim, K.,
Mass spectrometry of onium compounds. XXIX. Ionisation potential in structure analysis of valence isomers,
Acta Chem. Scand., Ser. B, 1975, 29, 221. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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