1-Butanol, 2-methyl-
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N
- CAS Registry Number: 137-32-6
- 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:
- Isotopologues:
- Stereoisomers:
- Other names: sec-Butylcarbinol; Active amyl alcohol; Active primary amyl alcohol; Primary active amyl alcohol; 2-Methyl-n-butanol; 2-Methyl-1-butanol; 2-Methylbutyl alcohol; CH3CH2CH(CH3)CH2OH; dl-2-Methyl-1-butanol; 2-Methyl butanol-1; 2-Methylbutanol; dl-sec-Butyl carbinol; Butanol, 2-methyl-; 2-Methyl-butan-1-ol; 3-Methyl iso-butanol; Methyl-2-butan-1-ol; NSC 8431; 34713-94-5; 2-methyl-1-butanol (active amyl alcohol)
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Gas phase thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -302.0 ± 1.5 | kJ/mol | Ccb | Chao and Rossini, 1965 | Heat of formation derived by Cox and Pilcher, 1970 |
Phase change data
Go To: Top, Gas 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 402. ± 2. | K | AVG | N/A | Average of 29 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 575.4 ± 0.5 | K | N/A | Gude and Teja, 1995 | |
Tc | 575.4 | K | N/A | Quadri, Khilar, et al., 1991 | Uncertainty assigned by TRC = 0.7 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.4 ± 0.2 | bar | N/A | Gude and Teja, 1995 | |
Pc | 39.40 | bar | N/A | Quadri, Khilar, et al., 1991 | Uncertainty assigned by TRC = 0.40 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 54.6 ± 1.3 | kJ/mol | V | Chao and Rossini, 1965 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
ΔvapH° | 54.6 | kJ/mol | N/A | Chao and Rossini, 1965 | DRB |
ΔvapH° | 54.1 | kJ/mol | C | McCurdy and Laidler, 1963 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
43.4 | 317. | N/A | Easton, Hargreaves, et al., 2007 | Based on data from 302. to 410. K. See also Boublik, Fried, et al., 1984.; AC |
51.2 | 345. | N/A | Aucejo, Burguet, et al., 1994 | Based on data from 330. to 405. K.; AC |
49.8 | 353. | A | Stephenson and Malanowski, 1987 | Based on data from 338. to 402. K.; AC |
53.9 | 332. | A | Stephenson and Malanowski, 1987 | Based on data from 317. to 403. K.; AC |
58.5 | 264. | A | Stephenson and Malanowski, 1987 | Based on data from 249. to 319. K. See also Thomas, Meatyard, et al., 1979.; AC |
56.7 | 313. | N/A | Boublik, Fried, et al., 1984 | Based on data from 298. to 393. K. See also Butler, Ramchandani, et al., 1935.; AC |
56.1 | 322. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 307. to 403. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
298.12 to 393.70 | 4.48266 | 1360.367 | -99.937 | Butler, Ramchandani, et al., 1935, 2 | Coefficents calculated by NIST from author's data. |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, 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-1090 |
NIST MS number | 233556 |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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.
Chao and Rossini, 1965
Chao, J.; Rossini, F.D.,
Heats of combustion, formation, and isomerization of nineteen alkanols,
J. Chem. Eng. Data, 1965, 10, 374-379. [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]
Gude and Teja, 1995
Gude, M.; Teja, A.S.,
Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols,
J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]
Quadri, Khilar, et al., 1991
Quadri, S.K.; Khilar, K.C.; Kudchadker, A.P.; Patni, M.J.,
Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable alkanols,
J. Chem. Thermodyn., 1991, 23, 67-76. [all data]
McCurdy and Laidler, 1963
McCurdy, K.G.; Laidler, K.J.,
HEATS OF VAPORIZATION OF A SERIES OF ALIPHATIC ALCOHOLS,
Can. J. Chem., 1963, 41, 8, 1867-1871, https://doi.org/10.1139/v63-274
. [all data]
Easton, Hargreaves, et al., 2007
Easton, B.C.; Hargreaves, M.K.; Mitchell, R.K.,
The isolation of (-)-sec.-butylcarbinol from fusel oil,
J. Appl. Chem., 2007, 7, 4, 198-204, https://doi.org/10.1002/jctb.5010070407
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Aucejo, Burguet, et al., 1994
Aucejo, Antonio; Burguet, M.C.; Monton, Juan B.; Munoz, Rosa; Sanchotello, Margarita; Vazquez, M. Isabel,
Isothermal Vapor-Liquid Equilibria of 1-Pentanol with 2-Methyl-1-butanol, 2-Methyl-2-butanol, and 3-Methyl-2-butanol,
J. Chem. Eng. Data, 1994, 39, 3, 578-580, https://doi.org/10.1021/je00015a040
. [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]
Thomas, Meatyard, et al., 1979
Thomas, Leo H.; Meatyard, Robert; Smith, Harry; Davies, Gwyn H.,
Vapor pressures and molar entropies of vaporization of monohydric alcohols,
J. Chem. Eng. Data, 1979, 24, 3, 159-161, https://doi.org/10.1021/je60082a032
. [all data]
Butler, Ramchandani, et al., 1935
Butler, J.A.V.; Ramchandani, C.N.; Thomson, D.W.,
58. The solubility of non-electrolytes. Part I. The free energy of hydration of some aliphatic alcohols,
J. Chem. Soc., 1935, 280, https://doi.org/10.1039/jr9350000280
. [all data]
Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J.,
Physical and thermodynamic properties of aliphatic alcohols,
J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]
Butler, Ramchandani, et al., 1935, 2
Butler, J.A.V.; Ramchandani, C.N.; Thomson, D.W.,
The Solubility of Non-Electrolytes. Part 1. The Free Energy of Hydration of Some Alphatic Alcohols,
J. Chem. Soc., 1935, 280-285, https://doi.org/10.1039/jr9350000280
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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