3-Hexene, 2,2-dimethyl-, (Z)-

Formula: C₈H₁₆
Molecular weight: 112.2126
IUPAC Standard InChI: InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-
IUPAC Standard InChIKey: JPLZSSHKQZJYTJ-SREVYHEPSA-N
CAS Registry Number: 690-92-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Stereoisomers:
Other names: (Z)-2,2-Dimethyl-3-hexene; cis-2,2-Dimethyl-3-hexene; 2,2-Dimethyl-cis-3-hexene; 2,2-Dimethyl-3-hexene (cis); (Z)-2,2-Dimethylhex-3-ene
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NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

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Data compiled by: Donald R. Burgess, Jr.

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-96.6	kJ/mol	N/A	Yates and McDonald, 1973	Value computed using Δ_fH_liquid° value of -136.4±1.5 kj/mol from Yates and McDonald, 1973 and Δ_vapH° value of 39.8 kj/mol from alkenes correlation.

Condensed phase thermochemistry data

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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-136.4 ± 1.5	kJ/mol	Ccb	Yates and McDonald, 1973
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-5298.4 ± 1.5	kJ/mol	Ccb	Yates and McDonald, 1973	Corresponding Δ_fHº_liquid = -136.4 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δ_cH°_liquid	-5288.45 ± 0.71	kJ/mol	Ccb	Yates and McDonald, 1971	Corresponding Δ_fHº_liquid = -146.3 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δ_cH°_liquid	-5308.3 ± 2.5	kJ/mol	Ccb	Rockenfeller and Rossini, 1961	Derived from the ratio of Heat of combustion; Corresponding Δ_fHº_liquid = -126.4 kJ/mol (simple calculation by NIST; no Washburn corrections)

References

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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]

Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D., Heats of combustion, isomerization, and formation of selected C₇, C₈, and C₁₀ monoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 267-272. [all data]

Notes

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Symbols used in this document:

Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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