3-Hexene, 2,5-dimethyl-, (E)-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChIKey: KNCMKWVOMRUHKZ-AATRIKPKSA-N
- CAS Registry Number: 692-70-6
- 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. - Stereoisomers:
- Other names: trans-Diisopropylethylene; (E)-2,5-Dimethyl-3-hexene; trans-2,5-Dimethyl-3-hexene; 2,5-Dimethyl-trans-3-hexene; (E)-(CH3)2CHCH=CHCH(CH3)2; (3E)-2,5-Dimethyl-3-hexene; (E)-2,5-Dimethylhex-3-ene
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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 | -119.5 | kJ/mol | N/A | Yates and McDonald, 1973 | Value computed using ΔfHliquid° value of -159.3±1.5 kj/mol from Yates and McDonald, 1973 and ΔvapH° value of 39.8 kj/mol from alkenes correlation. |
Condensed 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -159.3 ± 1.5 | kJ/mol | Ccb | Yates and McDonald, 1973 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -5275.5 ± 1.5 | kJ/mol | Ccb | Yates and McDonald, 1973 | Corresponding ΔfHºliquid = -159.2 kJ/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -5265.56 ± 0.50 | kJ/mol | Ccb | Yates and McDonald, 1971 | Corresponding ΔfHºliquid = -169.2 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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: 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: H2 + C8H16 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -112.2 ± 0.2 | kJ/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Yates and McDonald, 1973
Yates, K.; McDonald, R.S.,
Kinetics and mechanisms of electrophilic addition. II. A thermochemical-kinetic approach to transition-state structure,
J. Org. Chem., 1973, 38, 2465-2478. [all data]
Yates and McDonald, 1971
Yates, K.; McDonald, R.S.,
A thermochemical probe into the mechanism of electrophilic addition to olefins,
J. Am. Chem. Soc., 1971, 93, 6297-6299. [all data]
Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J.,
Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins,
J. Am. Chem. Soc., 1973, 95, 790-792. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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