- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: WERYXYBDKMZEQL-UHFFFAOYSA-N
- CAS Registry Number: 110-63-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Diol 14B; Sucol B; Tetramethylene glycol; 1,4-Butylene glycol; 1,4-Dihydroxybutane; 1,4-Tetramethylene glycol; Butane-1,4-diol; Butanediol; 1,4-BD; Tetramethylene 1,4-diol; BDO; Butylene glycol; Dabco BDO; Butane diol-1,4; NSC 406696
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Reaction thermochemistry data
Go To: Top, 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: 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.
C4H9O2- + =
By formula: C4H9O2- + H+ = C4H10O2
|rH°||356.1 ± 2.5||kcal/mol||G+TS||Crowder and Bartmess, 1993||gas phase; «DELTA»Gacid at 80°C|
|rG°||354.6 ± 2.0||kcal/mol||IMRE||Crowder and Bartmess, 1993||gas phase; «DELTA»Gacid at 80°C|
|rG°||360.20 ± 0.30||kcal/mol||CIDC||Houriet, Tabet, et al., 1984||gas phase; value altered from reference due to change in acidity scale|
( ) + = ( 2)
By formula: (Cl- C4H10O2) + C4H10O2 = (Cl- 2C4H10O2)
|rH°||21.20 ± 0.80||kcal/mol||TDAs||Zhang, Beglinger, et al., 1995||gas phase|
|rG°||10.6 ± 1.0||kcal/mol||TDAs||Zhang, Beglinger, et al., 1995||gas phase|
+ = ( )
By formula: Cl- + C4H10O2 = (Cl- C4H10O2)
|rH°||30.2 ± 1.7||kcal/mol||TDAs||Zhang, Beglinger, et al., 1995||gas phase|
|rG°||17.5 ± 1.0||kcal/mol||TDAs||Zhang, Beglinger, et al., 1995||gas phase|
Go To: Top, Reaction thermochemistry data, Notes
Crowder and Bartmess, 1993
Crowder, C.; Bartmess, J., The Gas Phase Acidities of Diols, J. Am. Soc. Mass Spectrom., 1993, 4, 9, 723, https://doi.org/10.1016/1044-0305(93)80051-Y . [all data]
Houriet, Tabet, et al., 1984
Houriet, R.; Tabet, J.-C.; Tchapla, A., Gas-phase Acidities of Aliphatic and Cyclic Diols, Spectros. Int. J., (1984),, 1984, 3, 132.. [all data]
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]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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