2-Pentanol, 4-methyl-
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChI: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
- IUPAC Standard InChIKey: WVYWICLMDOOCFB-UHFFFAOYSA-N
- CAS Registry Number: 108-11-2
- 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: Isobutylmethylcarbinol; Isobutylmethylmethanol; Methylisobutylcarbinol; MAOH; MIBC; MIC; 2-Methyl-4-Pentanol; 3-MIC; 4-Methyl-2-pentanol; 1,3-Dimethylbutanol; Methyl amyl alcohol; 4-Methylpentan-2-ol; Alcool methyl amylique; Metilamil alcohol; 4-Methylpentanol-2; 4-Metilpentan-2-olo; Methyl-isobutylkarbinol; 4-Pentanol, 2-methyl-; UN 2053; 4-Methyl-2-pentyl alcohol; 1,3-Dimethyl-1-butanol; (.+/-.)-4-Methyl-2-pentanol; 4-Methyl-2-amyl alcohol; dl-Methylisobutylcarbinol; NSC 9384
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -82.24 ± 0.50 | kcal/mol | N/A | Sachek, Peshchenko, et al., 1974 | Value computed using ΔfHliquid° value of -394.7±0.75 kj/mol from Sachek, Peshchenko, et al., 1974 and ΔvapH° value of 50.6±2 kj/mol from missing citation. |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
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
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 372.2 ± 2.0 | kcal/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.6 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
Gas phase ion energetics data
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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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H5O+ | 10.24 | (CH3)2CHCH2 | EI | Holmes, Lossing, et al., 1988 | LL |
De-protonation reactions
C6H13O- + =
By formula: C6H13O- + H+ = C6H14O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 372.2 ± 2.0 | kcal/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.6 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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.
Sachek, Peshchenko, et al., 1974
Sachek, A.I.; Peshchenko, A.D.; Andreevskii, D.N.,
Heats of formation of secondary pentanols and hexanols,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 617. [all data]
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W
. [all data]
Holmes, Lossing, et al., 1988
Holmes, J.L.; Lossing, F.P.; Maccoll, A.,
Heats of formation of alkyl radicals from appearance energies,
J. Am. Chem. Soc., 1988, 110, 7339. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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