Pentacosane
- Formula: C25H52
- Molecular weight: 352.6804
- IUPAC Standard InChIKey: YKNWIILGEFFOPE-UHFFFAOYSA-N
- CAS Registry Number: 629-99-2
- 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: n-Pentacosane
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Phase change data
Go To: Top, 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 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 675.1 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 327. ± 2. | K | AVG | N/A | Average of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 126.8 | kJ/mol | CGC | Chickos and Hanshaw, 2004 | Based on data from 434. to 539. K.; AC |
ΔvapH° | 128.6 ± 2.2 | kJ/mol | GS | Puri, Chickos, et al., 2001 | AC |
ΔvapH° | 127.6 ± 0.8 | kJ/mol | CGC | Nichols, Orf, et al., 2000 | AC |
ΔvapH° | 129.8 ± 2.9 | kJ/mol | CGC | Chickos and Wilson, 1997 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 174. ± 10. | kJ/mol | B | Piacente, Pompili, et al., 1991 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
106.6 | 397. | N/A | Sawaya, Mokbel, et al., 2006 | Based on data from 382. to 462. K.; AC |
126. ± 1. | 415. | TE | Piacente, Fontana, et al., 1994 | Based on data from 397. to 434. K.; AC |
97.6 | 405. | TE,ME,GS | Piacente, Pompili, et al., 1991 | Based on data from 390. to 531. K.; AC |
90.9 ± 5.7 | 479. | GS | Piacente and Scardala, 1990 | Based on data from 461. to 498. K.; AC |
99.2 | 472. | A,EST | Stephenson and Malanowski, 1987 | Based on data from 457. to 675. K. See also Kudchadker and Zwolinski, 1966.; 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 |
---|---|---|---|---|---|
467.4 to 663.4 | 6.65073 | 4317.287 | -14.252 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
79.391 | 326.6 | N/A | Spaght, Thomas, et al., 1932 | DH |
55.53 | 325.9 | DSC | Khimeche, Boumrah, et al., 2006 | AC |
57.8 | 326.4 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
57.74 | 326.7 | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
243.1 | 326.6 | Spaght, Thomas, et al., 1932 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
81.42 | 320.2 | Domalski and Hearing, 1996 | CAL |
176.76 | 326.7 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
26.500 | 320.0 | crystaline, II | crystaline, I | Barbillon, Schuffenecker, et al., 1991 | DH |
56.750 | 326.7 | crystaline, I | liquid | Barbillon, Schuffenecker, et al., 1991 | DH |
25.235 | 319.85 | crystaline, II | crystaline, I | Claudy, Letoffe, et al., 1979 | DH |
56.605 | 326.25 | crystaline, I | liquid | Claudy, Letoffe, et al., 1979 | DH |
26.066 | 320.15 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
57.739 | 326.65 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
78.9 | 319.85 | crystaline, II | crystaline, I | Claudy, Letoffe, et al., 1979 | DH |
173.5 | 326.25 | crystaline, I | liquid | Claudy, Letoffe, et al., 1979 | DH |
81.4 | 320.15 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
176.8 | 326.65 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
IR Spectrum
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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-2053 |
NIST MS number | 230923 |
References
Go To: Top, Phase change data, IR Spectrum, 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
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]
Nichols, Orf, et al., 2000
Nichols, Gary; Orf, Jennifer; Reiter, Sarah M.; Chickos, James; Gokel, George W.,
The vaporization enthalpies of some crown and polyethers by correlation gas chromatography,
Thermochimica Acta, 2000, 346, 1-2, 15-28, https://doi.org/10.1016/S0040-6031(99)00405-0
. [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]
Sawaya, Mokbel, et al., 2006
Sawaya, Terufat; Mokbel, Ilham; Ainous, Nédal; Rauzy, Evelyne; Berro, Charles; Jose, Jacques,
Experimental Vapor Pressures of Six n -Alkanes (C 21 , C 23 , C 25 , C 27 , C 29 , C 30 ) in the Temperature Range between 350 K and 460 K,
J. Chem. Eng. Data, 2006, 51, 3, 854-858, https://doi.org/10.1021/je050182i
. [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]
Spaght, Thomas, et al., 1932
Spaght, M.E.; Thomas, S.B.; Parks, G.S.,
Some heat capacity data on organic compounds obtained with a radiation calorimeter,
J. Phys. Chem., 1932, 36, 882-888. [all data]
Khimeche, Boumrah, et al., 2006
Khimeche, Kamel; Boumrah, Yacine; Benziane, Mokhtar; Dahmani, Abdallah,
Solid--liquid equilibria and purity determination for binary n-alkane+naphthalene systems,
Thermochimica Acta, 2006, 444, 2, 166-172, https://doi.org/10.1016/j.tca.2006.03.011
. [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]
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, Letoffe, et al., 1979
Claudy, P.; Letoffe, J.M.; Bousquet, J.,
Use of a transitory-state flow calorimeter for determining transition enthalpies and calorific capacities,
Journ. Calorim. Anal. Therm.(Prepr.), 1979, 10, AD. [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]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point 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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