Hexacosane
- Formula: C26H54
- Molecular weight: 366.7070
- IUPAC Standard InChIKey: HMSWAIKSFDFLKN-UHFFFAOYSA-N
- CAS Registry Number: 630-01-3
- 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. - Other names: n-Hexacosane
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°solid,1 bar | 667.0 | J/mol*K | N/A | Andon and Martin, 1976 | crystaline, II phase |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
870. | 353. | Atkinson, Larkin, et al., 1969 | T = 353 to 453 K. Equation only. |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
661.2 | 298.15 | Andon and Martin, 1976 | crystaline, II phase; T = 10 to 360 K. |
677.8 | 304. | Garner, Van Bibber, et al., 1931 | crystaline, II phase; T = 295 to 358 K. Mean value 22-40°C, β-form. |
Phase change data
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 534. | K | N/A | Krafft, 1883 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 330. ± 1. | K | AVG | N/A | Average of 30 out of 33 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 329.18 | K | N/A | Domanska and Wyrzykowska-Stankiewicz, 1991 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Ttriple | 329.26 | K | N/A | Andon and Martin, 1976 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 131.7 | kJ/mol | CGC | Chickos and Hanshaw, 2004 | Based on data from 434. to 539. K.; AC |
ΔvapH° | 139.3 ± 0.5 | kJ/mol | CGC | Chickos, Webb, et al., 2002 | AC |
ΔvapH° | 136.4 ± 0.2 | kJ/mol | GS | Puri, Chickos, et al., 2001 | AC |
ΔvapH° | 140.0 ± 2.2 | kJ/mol | CGC | Chickos and Wilson, 1997 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 177. ± 10. | kJ/mol | B | Piacente, Pompili, et al., 1991 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
132. ± 1. | 414. | TE | Piacente, Fontana, et al., 1994 | Based on data from 391. to 437. K.; AC |
97.6 | 419. | TE,ME,GS | Piacente, Pompili, et al., 1991 | Based on data from 404. to 546. K.; AC |
99.0 ± 3.8 | 487. | GS | Piacente and Scardala, 1990 | Based on data from 455. to 519. K.; AC |
101.6 | 481. | A,EST | Stephenson and Malanowski, 1987 | Based on data from 466. to 685. K. See also Kudchadker and Zwolinski, 1966.; AC |
94.5 | 493. | A | Stephenson and Malanowski, 1987 | Based on data from 478. to 530. 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 |
---|---|---|---|---|---|
477. to 672.9 | 6.57631 | 4224.36 | -30.387 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
61.1 | 330.9 | DSC | Gnatyuk, Platonova, et al., 2007 | AC |
60.1 | 329.1 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
59.5 | 329.5 | N/A | Domalski and Hearing, 1996 | AC |
57.6 | 328.2 | DSC | Lourdin, Roux, et al., 1992 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
98.7 | 326.5 | Domalski and Hearing, 1996 | CAL |
180.6 | 329.5 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
33.500 | 325.6 | crystaline, II | crystaline, I | Barbillon, Schuffenecker, et al., 1991 | DH |
60.000 | 329.2 | crystaline, I | liquid | Barbillon, Schuffenecker, et al., 1991 | DH |
32.820 | 325.8 | crystaline, II | crystaline, I | Claudy and Letoffe, 1991 | DH |
59.790 | 329.6 | crystaline, I | liquid | Claudy and Letoffe, 1991 | DH |
30.360 | 324.40 | crystaline, II | crystaline, I | Domanska and Wyrzykowska-Stankiewicz, 1991, 2 | DH |
63.920 | 329.18 | crystaline, I | liquid | Domanska and Wyrzykowska-Stankiewicz, 1991, 2 | DH |
33.420 | 325.5 | crystaline, II | crystaline, I | Andon and Martin, 1976 | DH |
60.700 | 329.25 | crystaline, I | liquid | Andon and Martin, 1976 | DH |
34.225 | 326.55 | crystaline, II | crystaline, I | Company, 1973 | DH |
59.496 | 329.55 | crystaline, I | liquid | Company, 1973 | DH |
32.217 | 326.45 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
59.496 | 329.45 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
35.020 | 323.3 | crystaline, II | crystaline, I | Garner, Van Bibber, et al., 1931 | DH |
58.743 | 329.3 | crystaline, I | liquid | Garner, Van Bibber, et al., 1931 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
102.7 | 325.5 | crystaline, II | crystaline, I | Andon and Martin, 1976 | DH |
184.4 | 329.25 | crystaline, I | liquid | Andon and Martin, 1976 | DH |
104.8 | 326.55 | crystaline, II | crystaline, I | Company, 1973 | DH |
180.5 | 329.55 | crystaline, I | liquid | Company, 1973 | DH |
98.7 | 326.45 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
180.6 | 329.45 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
108.3 | 323.3 | crystaline, II, á | crystaline, I, à transition | Garner, Van Bibber, et al., 1931 | DH |
178.4 | 329.3 | crystaline, I | liquid | Garner, Van Bibber, et al., 1931 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, 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
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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-6930 |
NIST MS number | 231554 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 415.93 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 415.9 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andon and Martin, 1976
Andon, R.J.L.; Martin, J.F.,
Thermodynamic properties of hexacosane,
J. Chem. Thermodynam., 1976, 8, 1159-1166. [all data]
Atkinson, Larkin, et al., 1969
Atkinson, C.M.L.; Larkin, J.A.; Richardson, M.J.,
Enthalpy changes in molten n-alkanes and polyethylene,
J. Chem. Thermodynam., 1969, 1, 435-445. [all data]
Garner, Van Bibber, et al., 1931
Garner, W.E.; Van Bibber, K.; King, A.M.,
The melting points and heats of crystallization of the normal long-chain hydrocarbons,
J. Chem. Soc. (London), 1931, 1931, 1533-1541. [all data]
Krafft, 1883
Krafft, F.,
Chem.-Ztg., 1883, 7, 153. [all data]
Domanska and Wyrzykowska-Stankiewicz, 1991
Domanska, U.; Wyrzykowska-Stankiewicz, D.,
Enthalpies of fusion and solid-solid transition of even-numbered paraffins docosane, hexacosane, octacosane and tetracosane,
Thermochim. Acta, 1991, 179, 265-71. [all data]
Chickos and Hanshaw, 2004
Chickos, James S.; Hanshaw, William,
Vapor Pressures and Vaporization Enthalpies of the n -Alkanes from C 21 to C 30 at T = 298.15 K by Correlation Gas Chromatography,
J. Chem. Eng. Data, 2004, 49, 1, 77-85, https://doi.org/10.1021/je0301747
. [all data]
Chickos, Webb, et al., 2002
Chickos, James S.; Webb, Paul; Nichols, Gary; Kiyobayashi, Tetsu; Cheng, Pei-Chao; Scott, Lawrence,
The enthalpy of vaporization and sublimation of corannulene, coronene, and perylene at T= 298.15 K,
The Journal of Chemical Thermodynamics, 2002, 34, 8, 1195-1206, https://doi.org/10.1006/jcht.2002.0977
. [all data]
Puri, Chickos, et al., 2001
Puri, Swati; Chickos, James S.; Welsh, William J.,
Determination of Vaporization Enthalpies of Polychlorinated Biphenyls by Correlation Gas Chromatography,
Anal. Chem., 2001, 73, 7, 1480-1484, https://doi.org/10.1021/ac001246p
. [all data]
Chickos and Wilson, 1997
Chickos, James S.; Wilson, Joe A.,
Vaporization Enthalpies at 298.15 K of the n -Alkanes from C 21 to C 28 and C 30,
J. Chem. Eng. Data, 1997, 42, 1, 190-197, https://doi.org/10.1021/je960089h
. [all data]
Piacente, Pompili, et al., 1991
Piacente, Vincenzo; Pompili, Tiziano; Scardala, Paolo; Ferro, Daniela,
Temperature dependence of the vaporization enthalpies of n-alkanes from vapour-pressure measurements,
The Journal of Chemical Thermodynamics, 1991, 23, 4, 379-396, https://doi.org/10.1016/S0021-9614(05)80092-8
. [all data]
Piacente, Fontana, et al., 1994
Piacente, Vincenzo; Fontana, Danilo; Scardala, Paolo,
Enthalpies of Vaporization of a Homologous Series of n-Alkanes Determined from Vapor Pressure Measurements,
J. Chem. Eng. Data, 1994, 39, 2, 231-237, https://doi.org/10.1021/je00014a009
. [all data]
Piacente and Scardala, 1990
Piacente, Vincenzo; Scardala, Paolo,
Vaporization enthalpies and entropies of some n-alkanes,
Thermochimica Acta, 1990, 159, 193-200, https://doi.org/10.1016/0040-6031(90)80108-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]
Kudchadker and Zwolinski, 1966
Kudchadker, A.P.; Zwolinski, B.J.,
Vapor Pressure and Boiling Points of Normal Alkanes, C 21 to C 100 .,
J. Chem. Eng. Data, 1966, 11, 2, 253-255, https://doi.org/10.1021/je60029a039
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Gnatyuk, Platonova, et al., 2007
Gnatyuk, I.I.; Platonova, N.V.; Puchkovskaya, G.A.; Kotelnikova, E.N.; Filatov, S.K.; Baran, J.; Drozd, M.,
Polymorphic transformations of C26H54 and C28H58 n-paraffins as typical rotator substances,
J Struct Chem, 2007, 48, 4, 654-665, https://doi.org/10.1007/s10947-007-0099-4
. [all data]
Mondieig, Rajabalee, et al., 2004
Mondieig, D.; Rajabalee, F.; Metivaud, V.; Oonk, H.A.J.; Cuevas-Diarte, M.A.,
n -Alkane Binary Molecular Alloys,
Chem. Mater., 2004, 16, 5, 786-798, https://doi.org/10.1021/cm031169p
. [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]
Lourdin, Roux, et al., 1992
Lourdin, D.; Roux, A.H.; Grolier, J.-P.E.; Buisine, J.-M.,
Thermobarometric and differential scanning calorimetric study of the polymorphism of some even and odd paraffins (C26, C27, C40, C60),
Thermochimica Acta, 1992, 204, 1, 99-110, https://doi.org/10.1016/0040-6031(92)80319-R
. [all data]
Barbillon, Schuffenecker, et al., 1991
Barbillon, P.; Schuffenecker, L.; Dellacherie, J.; Balesdent, D.; Dirande, M.,
Variation d'enthalpie subie de 260 K a 340 K par les n-paraffines, comprises entrel'octadecane et l'hexacosane,
J. Chim. Phys. Phys.-Chim. Biol., 1991, 88, 91-113. [all data]
Claudy and Letoffe, 1991
Claudy, P.; Letoffe, J.M.,
Phase transitions in even n-alkanes CnH2n+2, n = 16-28. Characterization by differential calorimetric analysis and by thermooptical analysis. Effect of deuteration,
Calorim. Anal. Therm., 1991, 22, 281-290. [all data]
Domanska and Wyrzykowska-Stankiewicz, 1991, 2
Domanska, U.; Wyrzykowska-Stankiewicz, D.,
Enthalpies of fusion and solid-solid transition of even-numbered paraffins docosane, hexacosane, octacosane and tetracosane,
Thermochim. Acta, 1991, 179, 265-271. [all data]
Company, 1973
Company, J.C.,
Measurement and interpretation of crystallization equilibriums of heavy paraffin and aromatic hydrocarbon solutions,
Chem. Eng. Sci., 1973, 28, 318-323. [all data]
Schaerer, Busso, et al., 1955
Schaerer, A.A.; Busso, C.J.; Smith, A.E.; Skinner, L.B.,
Properties of pure normal alkanes in the C17 to C36 range,
J. Am. Chem. Soc., 1955, 77, 2017-2019. [all data]
Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I.,
Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants,
J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation 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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