2-Hexanol
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChIKey: QNVRIHYSUZMSGM-UHFFFAOYSA-N
- CAS Registry Number: 626-93-7
- 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:
- Stereoisomers:
- Other names: n-C4H9CH(OH)CH3; n-Butylmethylcarbinol; Hexanol-(2); sec-Hexyl alcohol; n-Hexan-2-ol; 2-Hexyl alcohol; Hexan-2-ol
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Phase change 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 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 | 411. ± 3. | K | AVG | N/A | Average of 24 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 583. ± 10. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.1 ± 0.2 | bar | N/A | Gude and Teja, 1995 | |
Pc | 33.10 | bar | N/A | Rosenthal and Teja, 1990 | Uncertainty assigned by TRC = 0.20 bar; TRC |
Pc | 33.10 | bar | N/A | Rosenthal and Teja, 1989 | Uncertainty assigned by TRC = 0.20 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.384 | l/mol | N/A | Gude and Teja, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.60 ± 0.02 | mol/l | N/A | Gude and Teja, 1995 | |
ρc | 2.60 | mol/l | N/A | Anselme and Teja, 1988 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 58.47 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 57.0 ± 0.2 | kJ/mol | GS | Roganov, Pisarev, et al., 2005 | Based on data from 274. to 309. K.; AC |
ΔvapH° | 58.3 ± 0.3 | kJ/mol | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 274. to 309. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
41.01 | 413. | N/A | Majer and Svoboda, 1985 | |
61.8 | 239. | N/A | N'Guimbi, Berro, et al., 1999 | Based on data from 224. to 323. K.; AC |
48.7 | 375. | A | Stephenson and Malanowski, 1987 | Based on data from 360. to 415. K.; AC |
47.8 | 366. | A | Stephenson and Malanowski, 1987 | Based on data from 351. to 412. K. See also Brazhnikov, Andreevskii, et al., 1975.; AC |
56.8 ± 0.2 | 313. | C | Majer, Svoboda, et al., 1985 | AC |
55.0 ± 0.2 | 328. | C | Majer, Svoboda, et al., 1985 | AC |
53.0 ± 0.2 | 343. | C | Majer, Svoboda, et al., 1985 | AC |
50.7 ± 0.2 | 358. | C | Majer, Svoboda, et al., 1985 | AC |
49.2 ± 0.2 | 368. | C | Majer, Svoboda, et al., 1985 | AC |
52.4 | 352. | N/A | Sachek, Markovnik, et al., 1984 | Based on data from 337. to 413. K.; AC |
53.1 | 316. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 301. to 415. K.; AC |
49.7 | 356. | I | Hovorka, Lankelma, et al., 1938 | Based on data from 298. to 413. K.; AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 313. to 368. |
---|---|
A (kJ/mol) | 65.48 |
α | -1.4306 |
β | 1.1616 |
Tc (K) | 568.2 |
Reference | Majer and Svoboda, 1985 |
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. to 415. | 5.51932 | 2076.433 | -36.261 | Hovorka, Lankelma, et al., 1938 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Rosenthal and Teja, 1990
Rosenthal, D.J.; Teja, A.S.,
The Critical Pressures and temperatures of Isomeric Alkanols,
Ind. Eng. Chem. to be published 1990 1990, 1990. [all data]
Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S.,
Critical pressures and temperatures of isomeric alkanols,
Ind. Eng. Chem. Res., 1989, 28, 1693. [all data]
Anselme and Teja, 1988
Anselme, M.J.; Teja, A.S.,
Critical Temperatures and Densities of Isomeric Alkanols with Six to Ten Carbon Atoms,
Fluid Phase Equilib., 1988, 40, 127-34. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Roganov, Pisarev, et al., 2005
Roganov, Gennady N.; Pisarev, Pavel N.; Emel'yanenko, Vladimir N.; Verevkin, Sergey P.,
Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols,
J. Chem. Eng. Data, 2005, 50, 4, 1114-1124, https://doi.org/10.1021/je049561m
. [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]
N'Guimbi, Berro, et al., 1999
N'Guimbi, J.; Berro, C.; Mokbel, I.; Rauzy, E.; Jose, J.,
Experimental vapour pressures of 13 secondary and tertiary alcohols---correlation and prediction by a group contribution method,
Fluid Phase Equilibria, 1999, 162, 1-2, 143-158, https://doi.org/10.1016/S0378-3812(99)00168-5
. [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]
Brazhnikov, Andreevskii, et al., 1975
Brazhnikov, M.M.; Andreevskii, D.N.; Sachek, A.I.; Peshchenko, A.D.,
Zh. Prikl. Khim. (Leningrad), 1975, 48, 10, 2181. [all data]
Majer, Svoboda, et al., 1985
Majer, V.; Svoboda, V.; Lencka, M.,
Enthalpies of vaporization and cohesive energies of dimethylpyridines and trimethylpyridines,
The Journal of Chemical Thermodynamics, 1985, 17, 4, 365-370, https://doi.org/10.1016/0021-9614(85)90133-8
. [all data]
Sachek, Markovnik, et al., 1984
Sachek, A.I.; Markovnik, V.S.; Peshchenko, A.D.; Shvaro, A.V.; Andreevskii, D.N.,
Khim. Prom-st. (Moscow), 1984, 337. [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, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Vc Critical volume ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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