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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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
By formula: C4H8O = C4H8O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -17.03 | kJ/mol | Kin | Farberov, Bondarenko, et al., 1984 | liquid phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Gas Chromatography, 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 |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apiezon L | 120. | 605. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | Apiezon L | 160. | 607. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 633. | Estevez, Ventanas, et al., 2005 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Farberov, Bondarenko, et al., 1984
Farberov, M.I.; Bondarenko, A.V.; Tsilyurik, T.V.; Srednev, S.S.; Shutova, I.A.,
Epoxidation of isobutene with organic hydroperoxides, and certain syntheses on this basis,
J. Anal. Chem. USSR, 1984, 57, 1915-1919. [all data]
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]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R.,
Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters,
J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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