Butane, 2-chloro-2-methyl-
- Formula: C5H11Cl
- Molecular weight: 106.594
- IUPAC Standard InChIKey: CRNIHJHMEQZAAS-UHFFFAOYSA-N
- CAS Registry Number: 594-36-5
- 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: tert-Amyl Chloride; tert-Pentyl Chloride; Tertiary pentyl chloride; 1,1-Dimethylpropyl chloride; 2-Chloro-2-methylbutane; 2-Methyl-2-chlorobutane
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Phase change data
Go To: Top, IR Spectrum, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 358.8 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 358. | K | N/A | Kornblum, Smiley, et al., 1955 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 358.15 | K | N/A | Kharasch and Buchi, 1951 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 358.75 | K | N/A | Mumford and Phillips, 1950 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 358.8 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 200. | K | N/A | Fleming and Whitmore, 1932 | Uncertainty assigned by TRC = 5. K; TRC |
Tfus | 200.45 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.37 | 295. | A | Stephenson and Malanowski, 1987 | Based on data from 280. to 396. K. See also Dykyj, 1972.; AC |
8.00 ± 0.20 | 356.2 | V | Mathews and Fehlandt, 1931 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 7.34 kcal/mol; ALS |
IR Spectrum
Go To: Top, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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: 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 | Japan AIST/NIMC Database- Spectrum MS-NW-4936 |
NIST MS number | 227753 |
References
Go To: Top, Phase change data, IR Spectrum, 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Kornblum, Smiley, et al., 1955
Kornblum, N.; Smiley, R.A.; Ungnade, H.E.; White, A.M.; Taub, B.,
The reaction of silver nitrite with secondary and tertiary alkyl halides,
J. Am. Chem. Soc., 1955, 77, 5528-33. [all data]
Kharasch and Buchi, 1951
Kharasch, M.S.; Buchi, G.,
Reactions of Atoms and Free Radicals in Solution XXIV. The Reactions of Acetyl Peroxide with Chloro- and Dichloroalkanes,
J. Am. Chem. Soc., 1951, 73, 632. [all data]
Mumford and Phillips, 1950
Mumford, S.A.; Phillips, J.W.C.,
19. The Physical Properties of Some Aliphatic Compounds,
J. Chem. Soc., 1950, 1950, 75-84. [all data]
Timmermans, 1921
Timmermans, J.,
The Freezing Points of Organic Substances IV. New Exp. Determinations,
Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]
Fleming and Whitmore, 1932
Fleming, G.H.; Whitmore, F.C.,
Chlorination of Neopentane,
J. Am. Chem. Soc., 1932, 54, 3460. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj, 1972
Dykyj, J.,
Petrochemia, 1972, 12, 1, 13. [all data]
Mathews and Fehlandt, 1931
Mathews, J.H.; Fehlandt, P.R.,
The heats of vaporization of some organic compounds,
J. Am. Chem. Soc., 1931, 53, 3212-32. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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