2-Propen-1-ol, 2-methyl-
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChI: InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
- IUPAC Standard InChIKey: BYDRTKVGBRTTIT-UHFFFAOYSA-N
- CAS Registry Number: 513-42-8
- 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: Isopropenyl carbinol; Methallyl alcohol; 2-Methylallyl alcohol; 3-Hydroxy-2-methylpropene; CH2=C(CH3)CH2OH; 2-Methyl-2-propen-1-ol; β-Methallyl alcohol; 2-Methyl-2-propene-1-ol; UN 2614; 2-Methylprop-2-en-1-ol; 2-Methallyl alcohol; 2-Methyl-2-propenol; Methacryl alcohol; NSC 30674; β-Methylallyl alcohol
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Gas phase ion energetics data
Go To: Top, IR Spectrum, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C4H8O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.24 | PI | Traeger and McAdoo, 1986 | LBLHLM |
| 9.28 ± 0.05 | EI | Holmes and Lossing, 1983 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 9.69 | C2H5 | PI | Traeger and McAdoo, 1986 | LBLHLM |
IR Spectrum
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 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 |
| State | gas |
| Instrument | HP-GC/MS/IRD |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Traeger and McAdoo, 1986
Traeger, J.C.; McAdoo, D.J.,
Decomposition thresholds and associated translational energy releases for eight C4H8O+ isomers,
Int. J. Mass Spectrom. Ion Processes, 1986, 68, 35. [all data]
Holmes and Lossing, 1983
Holmes, J.L.; Lossing, F.P.,
The need for adequate thermochemical data for the interpretation of fragmentation mechanisms and ion structure assignments,
Int. J. Mass Spectrom. Ion Phys., 1983, 47, 133. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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