2,3-Butanediol

• Formula: C₄H₁₀O₂
• Molecular weight: 90.1210
• IUPAC Standard InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 Copy

  
• IUPAC Standard InChIKey: OWBTYPJTUOEWEK-UHFFFAOYSA-N Copy
• CAS Registry Number: 513-85-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • DL-2,3-Butanediol
  • levo-butane-2,3-diol
• Stereoisomers:
  • 2,3-Butanediol, [S-(R*,R*)]-
  • 2,3-Butanediol, [R-(R*,R*)]-
  • meso-2,3-Butanediol
  • 2,3-Butanediol, rac
  • 2,3-Butanediol, (R,R)
  • 2,3-Butanediol, (R,S)
• Other names: Butane-2,3-diol; Dimethylethylene glycol; 2,3-Butylene glycol; 2,3-Dihydroxybutane; D-2,3-Butane diol; 2,3-Butandiol; 2,3-Butanediol, isomer 1; 2,3-butanodiol; 2.3-Butanediol, isomer 3; 2,3-Butanediol, isomer 2
• Information on this page:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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

 + 2 =  + 2

By formula: C₈H₁₄O₄ + 2H₂O = C₄H₁₀O₂ + 2C₂H₄O₂

 + 2 =  + 2

By formula: C₄H₁₀O₂ + 2C₂H₄O₂ = C₈H₁₄O₄ + 2H₂O

Gas phase ion energetics 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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Appearance energy determinations

References

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

Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A., Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]

Moureu and Dode, 1937
Moureu, H.; Dode, M., Chaleurs de formation de l'oxyde d'ethylene, de l'ethanediol et de quelques homologues, Bull. Soc. Chim. France, 1937, 4, 637-647. [all data]

Khokhlovkin and Kalacheva, 1936
Khokhlovkin, M.A.; Kalacheva, A.V., The specific heat of 2,3-butanediol, Sintet. Kauchuk 5, 1936, No.1, 25-27. [all data]

Shlechter, Othmer, et al., 1945
Shlechter, N.; Othmer, D.F.; Marshak, S., Esterification of 2,3-butylene glycol with acetic acid, Ind. Eng. Chem., 1945, 37, 900-905. [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]

Holmes, Lossing, et al., 1991
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Heats of formation of oxygen-containing organic free radicals from appearance energy measurements, J. Am. Chem. Soc., 1991, 113, 9723. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Sirois, George, et al., 1994
Sirois, M.; George, M.; Holmes, J.L., Neutral counterparts of the C₂H₇O⁺ isomers, Org. Mass Spectrom., 1994, 29, 11. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  ΔcH°liquid	Enthalpy of combustion of liquid 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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