Benzeneacetaldehyde
- Formula: C8H8O
- Molecular weight: 120.1485
- IUPAC Standard InChI: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
- IUPAC Standard InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N
- CAS Registry Number: 122-78-1
- 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: Acetaldehyde, phenyl-; α-Tolualdehyde; α-Toluic aldehyde; Hyacinthin; Phenylacetaldehyde; Phenylacetic aldehyde; Phenylethanal; 2-Phenylethanal; 2-Phenylacetaldehyde; Benzacetaldehyde; Benzenacetaldehyde; Benzylcarboxaldehyde; NSC 406309; phenylacetalaldehyde; phenylacetadehyde
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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
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 468.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 59.8 ± 0.3 | kJ/mol | GS | Emel'yanenko, Dabrowska, et al., 2007 | Based on data from 293. to 343. K.; AC |
| ΔvapH° | 54.5 | kJ/mol | A | Stephenson and Malanowski, 1987 | Based on data from 283. to 333. K.; 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
View reactions leading to C8H8O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.3 ± 0.1 | EI | Dallinga, Nibbering, et al., 1981 |
| 8.80 | PE | Rabalais and Colton, 1973 |
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.
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]
Emel'yanenko, Dabrowska, et al., 2007
Emel'yanenko, Vladimir N.; Dabrowska, Aldona; Hertel, Marcus O.; Scheuren, Hans; Sommer, Karl,
Vapor Pressures, Enthalpies of Vaporization, and Limiting Activity Coefficients in Water at 100 °C of 2-Furanaldehyde, Benzaldehyde, Phenylethanal, and 2-Phenylethanol,
J. Chem. Eng. Data, 2007, 52, 2, 468-471, https://doi.org/10.1021/je060406c
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dallinga, Nibbering, et al., 1981
Dallinga, J.W.; Nibbering, N.M.M.; Louter, G.J.,
Formation and structure of [C8H8O]+ ions, generated from gas phase ions of phenylcyclopropylcarbinol and 1-phenyl-1-(hydroxymethyl)cyclopropane,
Org. Mass Spectrom., 1981, 16, 4. [all data]
Rabalais and Colton, 1973
Rabalais, J.W.; Colton, R.J.,
Electronic interaction between the phenyl group and its unsaturated substituents,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 83. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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