1-Hexene

Formula: C₆H₁₂
Molecular weight: 84.1595
IUPAC Standard InChI: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
IUPAC Standard InChIKey: LIKMAJRDDDTEIG-UHFFFAOYSA-N
CAS Registry Number: 592-41-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Hexene-1; 1-n-Hexene; 1-C6H12; Butylethylene; Hexene; Hex-1-ene; UN 2370; Hexylene; Neodene 6 XHP; NSC 74121; Dialene 6
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Reaction thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões

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Individual Reactions

+ 1-Hexene =

By formula: H₂ + C₆H₁₂ = C₆H₁₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-125. ± 3.	kJ/mol	AVG	N/A	Average of 8 values; Individual data points

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-9.77 ± 0.15	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS
Δ_rH°	-13.7 ± 0.96	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-5.74 ± 0.15	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS
Δ_rH°	-6.6 ± 1.3	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-7.8 ± 0.2	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS
Δ_rH°	-11.5 ± 1.0	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-10.9 ± 0.2	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS
Δ_rH°	-13.1 ± 1.3	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

= 1-Hexene +

By formula: C₆H₁₄O = C₆H₁₂ + H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33.8 ± 0.3	kJ/mol	Cm	Wiberg, Wasserman, et al., 1984	liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS

= 1-Hexene +

By formula: C₆H₁₄O = C₆H₁₂ + H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.1 ± 0.3	kJ/mol	Cm	Wiberg, Wasserman, et al., 1984	liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-17.6 ± 0.92	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-5.8 ± 1.2	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-7.7 ± 1.5	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-26.2 ± 1.1	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-22.0 ± 1.2	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-34.7 ± 0.88	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-14.6 ± 0.75	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-19.2 ± 1.1	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-14.7 ± 1.2	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-23.2 ± 1.4	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-15.9 ± 1.3	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-30.0 ± 1.1	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

1-Hexene + =

By formula: C₆H₁₂ + H₂O = C₆H₁₄O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-34.5 ± 0.3	kJ/mol	Cm	Wiberg and Wasserman, 1981	liquid phase; solvent: Water; Hydration; ALS

C₁₂H₁₆CrO₅ (solution) + 1-Hexene (solution) = C₁₁H₁₂CrO₅ (solution) + (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₆H₁₂ (solution) = C₁₁H₁₂CrO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-51.0 ± 5.0	kJ/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

1-Hexene + =

By formula: C₆H₁₂ + C₂HF₃O₂ = C₈H₁₃F₃O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-50.5 ± 0.1	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS

C₁₀H₁₁ClZr (cr) + 1-Hexene (l) = C₁₆H₂₃ClZr (cr)

By formula: C₁₀H₁₁ClZr (cr) + C₆H₁₂ (l) = C₁₆H₂₃ClZr (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-64.0 ± 4.1	kJ/mol	RSC	Diogo, Simoni, et al., 1993	MS

References

Go To: Top, Reaction thermochemistry data, Notes

Wiberg and Wasserman, 1981
Wiberg, K.B.; Wasserman, D.J., Enthalpies of hydration of alkenes. 1. The n-hexenes, J. Am. Chem. Soc., 1981, 103, 6563-6566. [all data]

Bartolo and Rossini, 1960
Bartolo, H.F.; Rossini, F.D., Heats of isomerization of the seventeen isomeric hexenes, J. Phys. Chem., 1960, 64, 1685-1689. [all data]

Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E., Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes, J. Phys. Chem., 1984, 88, 3684-3688. [all data]

Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V., Chem. Phys. Lett., 1986, 125, 566. [all data]

Diogo, Simoni, et al., 1993
Diogo, H.P.; Simoni, J.A.; Minas da Piedade, M.E.; Dias, A.R.; Martinho Simões, J.A., J. Am. Chem. Soc., 1993, 115, 2764. [all data]

Notes

Go To: Top, Reaction thermochemistry data, References

Symbols used in this document:

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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