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
The 3d structure may be viewed using Java or Javascript.
Other names: Hexene-1; 1-n-Hexene; 1-C6H12; Butylethylene; Hexene; Hex-1-ene; UN 2370; Hexylene; Neodene 6 XHP; NSC 74121; Dialene 6
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Reaction thermochemistry data

Go To: Top, References, Notes

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

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

+ 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
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.