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Docosane

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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

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
177.353.Atkinson, Larkin, et al., 1969T = 353 to 453 K. Equation only.

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
112.300.Hoehne, 1981T = 300 to 500 K. Cv = 1.48 J/g*K.
134.7299.Garner, Van Bibber, et al., 1931crystaline, II phase; T = 280 to 347 K. Mean value 17 to 35°C, «beta»-form.

Phase change data

Go To: Top, Condensed phase thermochemistry 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 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
Tboil641.8KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus317. ± 1.KAVGN/AAverage of 26 out of 28 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple315.20KN/ADomanska and Wyrzykowska-Stankiewicz, 1991Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc786. ± 8.KN/AAmbrose and Tsonopoulos, 1995 
Tc785.6KN/ANikitin, Pavlov, et al., 1994Uncertainty assigned by TRC = 3. K; TRC
Tc763.15KN/AAmbrose, 1963Uncertainty assigned by TRC = 10. K; lower limit reported; TRC
Quantity Value Units Method Reference Comment
Pc10. ± 2.atmN/AAmbrose and Tsonopoulos, 1995 
Pc9.69atmN/ANikitin, Pavlov, et al., 1994Uncertainty assigned by TRC = 0.39 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap26.74kcal/molCGCChickos and Hanshaw, 2004Based on data from 434. - 539. K.; AC
Deltavap27.46 ± 0.07kcal/molCGCChickos, Webb, et al., 2002AC
Deltavap27.63 ± 0.45kcal/molCGCChickos and Wilson, 1997AC
Deltavap27.63kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 453. - 503. K.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
20.1468.N/AMorgan and Kobayashi, 1994Based on data from 453. - 573. K.; AC
29.6 ± 0.5391.TEPiacente, Fontana, et al., 1994Based on data from 372. - 410. K.; AC
21.5373.TE,ME,GSPiacente, Pompili, et al., 1991Based on data from 358. - 490. K.; AC
24.12368.N/ASasse, Jose, et al., 1988Based on data from 353. - 462. K.; AC
21.8446.A,ESTStephenson and Malanowski, 1987Based on data from 431. - 642. K. See also Kudchadker and Zwolinski, 1966.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
41.25 ± 0.48391.BPiacente, Fontana, et al., 1994AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
18.762316.9N/ABarbillon, Schuffenecker, et al., 1991DH
11.7316.6DSCMondieig, Rajabalee, et al., 2004AC
11.43316.1N/ADomalski and Hearing, 1990AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
22.38315.2Domalski and Hearing, 1990CAL
36.176316.1

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.8368315.5crystaline, IIcrystaline, IClaudy and Letoffe, 1991DH
11.425316.8crystaline, IliquidClaudy and Letoffe, 1991DH
8.6879314.45crystaline, IIcrystaline, IDomanska and Wyrzykowska-Stankiewicz, 1991, 2DH
9.5029315.20crystaline, IliquidDomanska and Wyrzykowska-Stankiewicz, 1991, 2DH
7.0519315.15crystaline, IIcrystaline, IClaudy, Letoffe, et al., 1979DH
11.433316.05crystaline, IliquidClaudy, Letoffe, et al., 1979DH
6.7400316.25crystaline, IIcrystaline, ICompany, 1973DH
11.700317.25crystaline, IliquidCompany, 1973DH
6.9001316.15crystaline, IIcrystaline, ISchaerer, Busso, et al., 1955DH
11.700317.15crystaline, IliquidSchaerer, Busso, et al., 1955DH
2.139313.4crystaline, IIcrystaline, IGarner, Van Bibber, et al., 1931DH
3.6353317.0crystaline, IliquidGarner, Van Bibber, et al., 1931DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
22.4315.15crystaline, IIcrystaline, IClaudy, Letoffe, et al., 1979DH
36.19316.05crystaline, IliquidClaudy, Letoffe, et al., 1979DH
21.3316.25crystaline, IIcrystaline, ICompany, 1973DH
36.88317.25crystaline, IliquidCompany, 1973DH
22.02316.15crystaline, IIcrystaline, ISchaerer, Busso, et al., 1955DH
36.90317.15crystaline, IliquidSchaerer, Busso, et al., 1955DH
6.84313.4crystaline, II, ácrystaline, I, à transitionGarner, Van Bibber, et al., 1931DH
11.5317.0crystaline, IliquidGarner, Van Bibber, et al., 1931DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR 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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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

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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-6005
NIST MS number 227537

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS356.14Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5MS362.61Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryDB-1374.9Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-1374.9Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
CapillaryDB-1374.9Johnson, Urso, et al., 199730. m/0.2 mm/0.25 «mu»m, 50. C @ 2. min, 5. K/min, 300. C @ 5. min

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.

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]

Hoehne, 1981
Hoehne, G.W.H., Transitions of n-alkanes above the melting point, Polym. Bull. (Berlin), 1981, 6, 41-46. [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]

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]

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]

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Nikitin, Pavlov, et al., 1994
Nikitin, E.D.; Pavlov, P.A.; Bessonova, N.V., Critical constants of n-alkanes with from 17 to 24 carbon atoms, J. Chem. Thermodyn., 1994, 26, 177-82. [all data]

Ambrose, 1963
Ambrose, D., Critical Temperatures of Some Phenols and Other Organic Compounds, Trans. Faraday Soc., 1963, 59, 1988. [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]

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]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Morgan and Kobayashi, 1994
Morgan, David L.; Kobayashi, Riki, Direct vapor pressure measurements of ten n-alkanes m the 10-C28 range, Fluid Phase Equilibria, 1994, 97, 211-242, https://doi.org/10.1016/0378-3812(94)85017-8 . [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, 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]

Sasse, Jose, et al., 1988
Sasse, Karim; Jose, Jacques; Merlin, Jean-Claude, A static apparatus for measurement of low vapor pressures. Experimental results on high molecular-weight hydrocarbons, Fluid Phase Equilibria, 1988, 42, 287-304, https://doi.org/10.1016/0378-3812(88)80065-7 . [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]

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]

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, 1990
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase Volume II, J. Phys. Chem. Ref. Data, 1990, 19, 4, 881, https://doi.org/10.1063/1.555876 . [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]

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]

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]

Johnson, Urso, et al., 1997
Johnson, C.I.; Urso, A.; Geleta, L., Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References