1,3-Butadiene, 2,3-dimethyl-

• Formula: C₆H₁₀
• Molecular weight: 82.1436
• IUPAC Standard InChI: InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3 Copy

  
• IUPAC Standard InChIKey: SDJHPPZKZZWAKF-UHFFFAOYSA-N Copy
• CAS Registry Number: 513-81-5
• 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: Biisopropenyl; Diisopropenyl; 2,3-Dimethyl-1,3-butadiene; 2,3-Dimethylbuta-1,3-diene; 2,3-Dimethylbutadiene; CH2=C(CH3)C(CH3)=CH2; 2,3-Dimethylenebutane
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Henry's Law data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• 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.

Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Henry's Law 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Henry's Law 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
B - John E. Bartmess

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

2 +  =

By formula: 2H₂ + C₆H₁₀ = C₆H₁₄

C₆H₉^- +  =

By formula: C₆H₉^- + H⁺ = C₆H₁₀

 +  = C₁₂H₁₀N₄

By formula: C₆H₁₀ + C₆N₄ = C₁₂H₁₀N₄

C₁₂H₁₀N₄ =  + 

By formula: C₁₂H₁₀N₄ = C₆H₁₀ + C₆N₄

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Reaction 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Durig J.R., 1979
Durig J.R., Analysis of torsional spectra of molecules with two internal C3v rotors. 16. Infrared and Raman spectra, vibrational assignment, methyl torsional potential function, and gas phase thermodynamic functions of 2,3-dimethylbuta-1,3-diene, J. Phys. Chem., 1979, 83, 2879-2886. [all data]

Durig J.R., 1980
Durig J.R., Spectroscopic and thermodynamic study of conformational properties and torsional potential functions of 1-butene, J. Phys. Chem., 1980, 84, 773-781. [all data]

Durig J.R., 1980, 2
Durig J.R., Torsional spectra of molecules with two internal C3v rotors. 19. Vibrational spectra, torsional potential functions, and conformational and thermodynamic properties of 2-methyl-1-butene, J. Phys. Chem., 1980, 84, 3554-3561. [all data]

Durig J.R., 1981
Durig J.R., Analysis of torsional spectra of molecules with two internal C3v rotors. 20. Vibrational spectra, torsional potential functions, and conformational and thermodynamic properties of 3-methyl-1-butene, J. Phys. Chem., 1981, 85, 426-434. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Molnar, Rachford, et al., 1984
Molnar, A.; Rachford, R.; Smith, G.V.; Liu, R., Heats of hydrogenation by a simple and rapid flow calorimetric method, Appl. Catal., 1984, 9, 219-223. [all data]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Clifford, Wenthold, et al., 1998
Clifford, E.P.; Wenthold, P.G.; Lineberger, W.C.; Ellison, G.B.; Wang, C.X.; Grabowski, J.J.; Vila, F.; Jordan, Properties of Tetramethyleneethane (TME) as Revealed by Ion Chemistry and Ion Photoelectron Spectroscopy, J. Chem. Soc. Perkin Trans., 1998, 2, 5, 1015, https://doi.org/10.1039/a707322d . [all data]

Rogers, 1972
Rogers, F.E., Thermochemistry of the Diels-Alder reactions. II. Heat of addition of several dienes to tetracyanoethylene, J. Phys. Chem., 1972, 76, 106-109. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References

• Symbols used in this document:
  

  Cp,gas	Constant pressure heat capacity of gas
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	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.