2-Butene-1,4-diol, (Z)-
- Formula: C4H8O2
- Molecular weight: 88.1051
- IUPAC Standard InChIKey: ORTVZLZNOYNASJ-UPHRSURJSA-N
- CAS Registry Number: 6117-80-2
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: (Z)-2-Butene-1,4-diol; cis-Butenediol; cis-1,4-Dihydroxy-2-butene; cis-2-Butene-1,4-Diol
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Ion clustering 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Cl- + C4H8O2 = (Cl- • C4H8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.9 ± 1.5 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.7 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
By formula: (Cl- • C4H8O2) + C4H8O2 = (Cl- • 2C4H8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.90 ± 0.40 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.7 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
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
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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 | Japan AIST/NIMC Database- Spectrum MS-NW-4327 |
NIST MS number | 230315 |
References
Go To: Top, Ion clustering 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.
Zhang, Beglinger, et al., 1995
Zhang, W.; Beglinger, C.; Stone, J.A.,
High-pressure mass spectrometric study of the gas-phase association of Cl- with alpha,omega-diols,
J. Phys. Chem., 1995, 99, 30, 11673, https://doi.org/10.1021/j100030a009
. [all data]
Notes
Go To: Top, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
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
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