2-Pentanol, 4-methyl-
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChIKey: WVYWICLMDOOCFB-UHFFFAOYSA-N
- CAS Registry Number: 108-11-2
- 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: Isobutylmethylcarbinol; Isobutylmethylmethanol; Methylisobutylcarbinol; MAOH; MIBC; MIC; 2-Methyl-4-Pentanol; 3-MIC; 4-Methyl-2-pentanol; 1,3-Dimethylbutanol; Methyl amyl alcohol; 4-Methylpentan-2-ol; Alcool methyl amylique; Metilamil alcohol; 4-Methylpentanol-2; 4-Metilpentan-2-olo; Methyl-isobutylkarbinol; 4-Pentanol, 2-methyl-; UN 2053; 4-Methyl-2-pentyl alcohol; 1,3-Dimethyl-1-butanol; (.+/-.)-4-Methyl-2-pentanol; 4-Methyl-2-amyl alcohol; dl-Methylisobutylcarbinol; NSC 9384
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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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -344.1 ± 2.1 | kJ/mol | N/A | Sachek, Peshchenko, et al., 1974 | Value computed using ΔfHliquid° value of -394.7±0.75 kj/mol from Sachek, Peshchenko, et al., 1974 and ΔvapH° value of 50.6±2 kj/mol from missing citation. |
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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 405. ± 4. | K | AVG | N/A | Average of 35 out of 36 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 574.4 ± 0.5 | K | N/A | Gude and Teja, 1995 | |
Tc | 574.4 | K | N/A | Lawrenson and Lee, 1978 | Uncertainty assigned by TRC = 0.5 K; Visual, decomp.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 57.3 ± 0.3 | kJ/mol | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 274. to 301. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
59.6 | 280. | A | Stephenson and Malanowski, 1987 | Based on data from 240. to 295. K.; AC |
47.3 | 368. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 353. to 404. K. See also Andreevskii and Brazhnikov, 1970.; AC |
49.6 | 308. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 293. to 406. K.; AC |
45.6 | 350. | I | Hovorka, Lankelma, et al., 1938 | Based on data from 298. to 403. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
298. to 406. | 7.57343 | 3831.194 | 101.679 | Hovorka, Lankelma, et al., 1938 | 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. |
---|---|
NIST MS number | 19894 |
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.
Sachek, Peshchenko, et al., 1974
Sachek, A.I.; Peshchenko, A.D.; Andreevskii, D.N.,
Heats of formation of secondary pentanols and hexanols,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 617. [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]
Lawrenson and Lee, 1978
Lawrenson, I.J.; Lee, D.A.,
Thermodynamic properties of organic oxygen compounds XLVIII. The critical temperature of some alkanols,
J. Chem. Thermodyn., 1978, 10, 1111. [all data]
Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas,
Determination of Vapor Pressures and Vaporization Enthalpies of the Aliphatic Branched C 5 and C 6 Alcohols,
J. Chem. Eng. Data, 2001, 46, 6, 1593-1600, https://doi.org/10.1021/je010187p
. [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]
Andreevskii and Brazhnikov, 1970
Andreevskii, D.N.; Brazhnikov, M.M.,
Vestn. Beloruss. Univ., 1970, 2, 3, 14. [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]
Hovorka, Lankelma, et al., 1938
Hovorka, Frank; Lankelma, Herman P.; Stanford, Spencer C.,
Thermodynamic Properties of the Hexyl Alcohols. II. Hexanols-1, -2, -3 and 2-Methylpentanol-1 and -4,
J. Am. Chem. Soc., 1938, 60, 4, 820-827, https://doi.org/10.1021/ja01271a018
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
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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