Butane, 1-(methylsulfonyl)-
- Formula: C5H12O2S
- Molecular weight: 136.213
- IUPAC Standard InChIKey: QRXUXNUNFHPWLQ-UHFFFAOYSA-N
- CAS Registry Number: 7560-59-0
- 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: Sulfone, butyl methyl; Butyl methyl sulfone; 1-(Methylsulphonyl)butane; Butyl methyl sulphone
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Gas 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°gas | -109.87 ± 0.63 | kcal/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -109.5 ± 0.5 kcal/mol; Heat of combustion corrected for constant pressure |
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 | -128.07 ± 0.20 | kcal/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -127.7 ± 0.2 kcal/mol; Heat of combustion corrected for constant pressure |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -896.03 ± 0.16 | kcal/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -896.33 ± 0.06 kcal/mol; Heat of combustion corrected for constant pressure |
Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 297. | K | N/A | Mackle and O'Hare, 1961 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 303. | K | N/A | Yamamoto, 1952 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 303. | K | N/A | Challenger, Taylor, et al., 1942 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 18.2 ± 0.5 | kcal/mol | V | Mackle and O'Hare, 1961 | Heat of combustion corrected for constant pressure; ALS |
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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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. |
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NIST MS number | 3415 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mackle and O'Hare, 1961
Mackle, H.; O'Hare, P.A.G.,
Studies in the thermochemistry of sulphones. Part 5.-Heats of combustion, formation, fusion, vaporization and atomization of eleven aliphatic sulphones,
Trans. Faraday Soc., 1961, 57, 1070-1074. [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]
Yamamoto, 1952
Yamamoto, Y.,
Synthesis and Antobacterial Activity of 2-Amino-2-methyl-5-thiazolyl Alkyl Sulfides and Sulfones,
J. Pharm. Soc. Jpn., 1952, 7, 1124-8. [all data]
Challenger, Taylor, et al., 1942
Challenger, F.; Taylor, P.; Taylor, B.,
Interaction of Betaine with Primary Aromatic Amines, Organic Disulfides, and Sodium Sulfate,
J. Chem. Soc., 1942, 48-55. [all data]
Notes
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- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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