3-Buten-2-ol, 2-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChI: InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
- IUPAC Standard InChIKey: HNVRRHSXBLFLIG-UHFFFAOYSA-N
- CAS Registry Number: 115-18-4
- 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: α,α-Dimethylallyl alcohol; Dimethylvinylcarbinol; Dimethylvinylmethanol; Vinyldimethylcarbinol; 1,1-Dimethyl-2-propenol; 1,1-Dimethylallyl alcohol; CH2=CHC(CH3)2OH; 2-Methyl-3-buten-2-ol; 3-Methyl-1-butene-3-ol; 3-Hydroxy-3-methyl-1-butene; 2-Methyl-3-butene-2-ol; 1-Buten-3-ol, 3-methyl-; 3-Methyl-buten-(1)-ol-(3); 3-Methyl-1-buten-3-ol; 2-Methylbut-3-en-2-ol; 2-Methyl but-3-ene-2-ol; 1,1-Dimethyl-2-propen-1-ol; 1,1-Dimethyl-2-propenyl alcohol; 2-Methyl-2-hydroxy-3-butene; 2-Methyl-3-buten-2-yl alcohol; 3-Hydroxy-3-methylbutene; NSC 15977
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Condensed phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -43.4 ± 0.2 | kcal/mol | Ccb | Gubareva, Gerasimov, et al., 1984 | hf_298 calculated possible error by the author; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -768.4 ± 0.2 | kcal/mol | Ccb | Gubareva, Gerasimov, et al., 1984 | hf_298 calculated possible error by the author; Corresponding ΔfHºliquid = -43.43 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 57.65 | 298.05 | Baglay, Gurariy, et al., 1988 | T = 270 to 340 K. Unsmoothed experimental datum.; DH |
| 57.53 | 298.05 | Baglai, Baev, et al., 1984 | T = 273 to 343 K. Cp(liq) = -0.96211 + 0.017280T - 1.6x10-5T2 kJ/kg*K (273 to 343 K).; DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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 C5H10O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.90 | PE | Vajda and Harrison, 1979 | Vertical value |
References
Go To: Top, Condensed phase 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.
Gubareva, Gerasimov, et al., 1984
Gubareva, A.I.; Gerasimov, P.A.; Beregovykh, V.V.,
Physicochemical properties of dimethylvinylcarbinol (2-methyl-3-buten-2-ol),
J. Appl. Chem. USSR, 1984, 57, 2199-2201. [all data]
Baglay, Gurariy, et al., 1988
Baglay, A.K.; Gurariy, L.L.; Kuleshov, G.G.,
Physical properties of compounds used in vitamin synthesis,
J. Chem. Eng. Data, 1988, 33, 512-518. [all data]
Baglai, Baev, et al., 1984
Baglai, A.K.; Baev, A.A.; Belousov, V.P.; Beregovykh, V.V.; Grushenko, M.M.; Gurarii, L.L.; Konstantinov, S.G.; Kostyushko, Yu.L.; Kuleshov, G.G.; Pasechnik, N.I.; Petrashkevich, R.I.; Podkovyrov, A.I.; Sitnov, A.A.; Shishko, M.A.; Shulgin, I.L.,
Investigation of the physico-chemical characteristics of substances utilized in the synthesis of vitamins A and E,
Khim. Farm. Zhur., 1984, 18, 1013-1019. [all data]
Vajda and Harrison, 1979
Vajda, J.H.; Harrison, A.G.,
Proton affinities of some olefinic carbonyl compounds and heats of formation of CnH2n-1O+ ions,
Int. J. Mass Spectrom. Ion Phys., 1979, 30, 293. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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