1-Hexanol
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
- CAS Registry Number: 111-27-3
- 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. - Isotopologues:
- Other names: Hexyl alcohol; n-Hexan-1-ol; n-Hexanol; n-Hexyl alcohol; Amylcarbinol; Caproyl alcohol; Hexanol; Pentylcarbinol; 1-Hexyl alcohol; 1-Hydroxyhexane; n-C6H13OH; Hexan-1-ol; Hexanol-(1); Epal 6; NSC 9254
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 430. ± 2. | K | AVG | N/A | Average of 54 out of 59 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 225. ± 5. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 225.8 | K | N/A | Kelley, 1929 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 610.5 ± 0.9 | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34.2 ± 0.2 | bar | N/A | Gude and Teja, 1995 | |
Pc | 34.20 | bar | N/A | Quadri, Khilar, et al., 1991 | Uncertainty assigned by TRC = 0.50 bar; TRC |
Pc | 34.13 | bar | N/A | Rosenthal and Teja, 1990 | Uncertainty assigned by TRC = 0.06 bar; TRC |
Pc | 34.13 | bar | N/A | Rosenthal and Teja, 1989 | Uncertainty assigned by TRC = 0.20 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.387 | l/mol | N/A | Gude and Teja, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.58 ± 0.02 | mol/l | N/A | Gude and Teja, 1995 | |
ρc | 2.62 | mol/l | N/A | Teja, Lee, et al., 1989 | TRC |
ρc | 2.54 | mol/l | N/A | Anselme and Teja, 1988 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
ρc | 2.62 | mol/l | N/A | Efremov, 1966 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 61. ± 2. | kJ/mol | AVG | N/A | Average of 13 out of 14 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
44.5 | 430.5 | N/A | Majer and Svoboda, 1985 | |
59.7 | 359. | EB | Gierycz, Kosowski, et al., 2009 | Based on data from 344. to 384. K.; AC |
51.4 | 385. | EB | Tan, Li, et al., 2004 | Based on data from 370. to 416. K.; AC |
62.0 | 288. | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 265. to 328. K.; AC |
61.9 ± 0.2 | 301. | GS | Verevkin, 1998 | Based on data from 268. to 333. K.; AC |
61.2 | 296. | N/A | N'Guimbi, Kasehgari, et al., 1992 | Based on data from 253. to 338. K.; AC |
57.7 | 313. | A | Stephenson and Malanowski, 1987 | Based on data from 298. to 343. K.; AC |
58.5 | 340. | DTA | Stephenson and Malanowski, 1987 | Based on data from 325. to 431. K. See also Kemme and Kreps, 1969.; AC |
58.5 ± 0.2 | 328. | C | Majer, Svoboda, et al., 1985 | AC |
57.6 ± 0.2 | 343. | C | Majer, Svoboda, et al., 1985 | AC |
55.2 ± 0.2 | 358. | C | Majer, Svoboda, et al., 1985 | AC |
53.8 ± 0.2 | 368. | C | Majer, Svoboda, et al., 1985 | AC |
47.9 | 395. | EB | Reddy, Rao, et al., 1985 | Based on data from 380. to 417. K.; AC |
57.9 | 323. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 308. to 430. K.; AC |
56.0 | 349. | N/A | Rose and Supina, 1961 | Based on data from 334. to 381. K.; AC |
57.9 | 348. | N/A | Butler, Ramchandani, et al., 1935 | Based on data from 333. to 425. K. See also Boublik, Fried, et al., 1984.; 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) | 298. to 368. |
---|---|
A (kJ/mol) | 72.06 |
α | -1.059 |
β | 1.0052 |
Tc (K) | 610. |
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 |
---|---|---|---|---|---|
325.4 to 430.5 | 4.41271 | 1422.031 | -107.706 | Kemme and Kreps, 1969 | |
334.1 to 381.7 | 5.64356 | 2117.967 | -51.988 | Rose and Supina, 1961 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.380 | 225.8 | Kelley, 1929, 2 | DH |
15.48 | 225.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
68.11 | 225.8 | Kelley, 1929, 2 | DH |
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.
Kelley, 1929
Kelley, K.K.,
The heat capacities of ethyl and hexyl alcohols from 16 to 298 K and the corresponding entropies and free energies,
J. Am. Chem. Soc., 1929, 51, 779-87. [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]
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]
Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J.,
Correlation of the Critical Properties of Alkanes and Alkanols
in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [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]
Efremov, 1966
Efremov, Yu.V.,
Density, Surface Tension, Saturated Vapor Pressurs and Critical Parameters of Alcohols,
Zh. Fiz. Khim., 1966, 40, 1240. [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]
Gierycz, Kosowski, et al., 2009
Gierycz, Pawel; Kosowski, Andrzej; Swietlik, Ryszard,
Vapor-Liquid Equilibria in Binary Systems Formed by Cyclohexane with Alcohols,
J. Chem. Eng. Data, 2009, 54, 11, 2996-3001, https://doi.org/10.1021/je900050z
. [all data]
Tan, Li, et al., 2004
Tan, Taijun; Li, Haoran; Wang, Congmin; Jiang, Hui; Han, Shijun,
Isothermal and isobaric vapor--liquid equilibria for the binary system trimethylbenzoquinone + n-hexanol,
Fluid Phase Equilibria, 2004, 224, 2, 279-283, https://doi.org/10.1016/j.fluid.2004.06.056
. [all data]
Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas,
Enthalpies of vaporization of a series of aliphatic alcohols,
Fluid Phase Equilibria, 2001, 192, 1-2, 187-207, https://doi.org/10.1016/S0378-3812(01)00633-1
. [all data]
Verevkin, 1998
Verevkin, Sergey P.,
Thermochemistry of phenols: experimental standard molar enthalpies of formation of 2-phenylphenol, 4-phenylphenol, 2,6-diphenylphenol, and 2,2´- and 4,4´-dihydroxybiphenyl,
The Journal of Chemical Thermodynamics, 1998, 30, 3, 389-396, https://doi.org/10.1006/jcht.1997.0316
. [all data]
N'Guimbi, Kasehgari, et al., 1992
N'Guimbi, J.; Kasehgari, H.; Mokbel, I.; Jose, J.,
Tensions de vapeur d'alcools primaires dans le domaine 0,3 Pa à 1,5 kPa,
Thermochimica Acta, 1992, 196, 2, 367-377, https://doi.org/10.1016/0040-6031(92)80100-B
. [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]
Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I.,
Vapor pressure of primary n-alkyl chlorides and alcohols,
J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011
. [all data]
Majer, Svoboda, et al., 1985
Majer, V.; Svoboda, V.; Uchytilová, V.; Finke, M.,
Enthalpies of vaporization of aliphatic C5 and C6 alcohols,
Fluid Phase Equilibria, 1985, 20, 111-118, https://doi.org/10.1016/0378-3812(85)90026-3
. [all data]
Reddy, Rao, et al., 1985
Reddy, K. Dayananda; Rao, M.V. Prabhakara; Ramakrishna, M.,
Activity coefficients and excess Gibbs free energies for the systems isobutyl methyl ketone(1)-1-pentanol(2) and isobutyl methyl ketone(1)-1-hexanol (2),
J. Chem. Eng. Data, 1985, 30, 4, 394-397, https://doi.org/10.1021/je00042a008
. [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]
Rose and Supina, 1961
Rose, Arthur; Supina, W.R.,
Vapor Pressure and Vapor-Liquid Equilibrium Data for Methyl Esters of the Common Saturated Normal Fatty Acids.,
J. Chem. Eng. Data, 1961, 6, 2, 173-179, https://doi.org/10.1021/je60010a003
. [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]
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]
Kelley, 1929, 2
Kelley, K.K.,
The heat capacities of ethyl and hexyl alcohols from 16°K to 298°K and the corresponding entropies and free energies,
J. Am. Chem. Soc., 1929, 51, 779-786. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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