2,3-Butanediol, diacetate
- Formula: C8H14O4
- Molecular weight: 174.1944
- IUPAC Standard InChI: InChI=1S/C8H14O4/c1-5(11-7(3)9)6(2)12-8(4)10/h5-6H,1-4H3
- IUPAC Standard InChIKey: VVSAAKSQXNXBML-UHFFFAOYSA-N
- CAS Registry Number: 1114-92-7
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 2,3-Butanediyl diacetate; Butane-2,3-diol, diacetate; 2,3-Diacetoxybutane; Butane-2,3-diyl diacetate; 2-(Acetyloxy)-1-methylpropyl acetate
- Information on this page:
- Other data available:
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -218.99 ± 0.79 | kcal/mol | Cm | Shlechter, Othmer, et al., 1945 | Heat of formation derived by Cox and Pilcher, 1970 |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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: 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -5.33 ± 0.50 | kcal/mol | Cm | Shlechter, Othmer, et al., 1945 | liquid phase; Heat of formation derived by Cox and Pilcher, 1970 |
+ 2
=
+ 2
By formula: C4H10O2 + 2C2H4O2 = C8H14O4 + 2H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.330 | kcal/mol | Eqk | Shlechter, Othmer, et al., 1945 | liquid phase; Heat of esterification at 338-453 K |
+
=
+
By formula: C6H12O3 + C2H4O2 = C8H14O4 + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 0.441 | kcal/mol | Eqk | Shlechter, Othmer, et al., 1945 | liquid phase; Heat of esterification at 338-453 K |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 152799 |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
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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