Docosane
- Formula: C22H46
- Molecular weight: 310.6006
- IUPAC Standard InChIKey: HOWGUJZVBDQJKV-UHFFFAOYSA-N
- CAS Registry Number: 629-97-0
- 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-Docosane; Normal-docosane
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Condensed phase thermochemistry data
Go To: Top, Phase change data, 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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
739. | 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 |
---|---|---|---|
468. | 300. | Hoehne, 1981 | T = 300 to 500 K. Cv = 1.48 J/g*K. |
563.6 | 299. | Garner, Van Bibber, et al., 1931 | crystaline, II phase; T = 280 to 347 K. Mean value 17 to 35°C, β-form. |
Phase change data
Go To: Top, Condensed phase thermochemistry data, 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 |
---|---|---|---|---|---|
Tboil | 641.8 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 317. ± 1. | K | AVG | N/A | Average of 26 out of 28 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 315.20 | K | N/A | Domanska and Wyrzykowska-Stankiewicz, 1991 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 786. ± 8. | K | N/A | Ambrose and Tsonopoulos, 1995 | |
Tc | 785.6 | K | N/A | Nikitin, Pavlov, et al., 1994 | Uncertainty assigned by TRC = 3. K; TRC |
Tc | 763.15 | K | N/A | Ambrose, 1963 | Uncertainty assigned by TRC = 10. K; lower limit reported; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 10. ± 2. | bar | N/A | Ambrose and Tsonopoulos, 1995 | |
Pc | 9.82 | bar | N/A | Nikitin, Pavlov, et al., 1994 | Uncertainty assigned by TRC = 0.40 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 111.9 | kJ/mol | CGC | Chickos and Hanshaw, 2004 | Based on data from 434. to 539. K.; AC |
ΔvapH° | 114.9 ± 0.3 | kJ/mol | CGC | Chickos, Webb, et al., 2002 | AC |
ΔvapH° | 115.6 ± 1.9 | kJ/mol | CGC | Chickos and Wilson, 1997 | AC |
ΔvapH° | 115.6 | kJ/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 453. to 503. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
84.3 | 468. | N/A | Morgan and Kobayashi, 1994 | Based on data from 453. to 573. K.; AC |
124. ± 2. | 391. | TE | Piacente, Fontana, et al., 1994 | Based on data from 372. to 410. K.; AC |
89.9 | 373. | TE,ME,GS | Piacente, Pompili, et al., 1991 | Based on data from 358. to 490. K.; AC |
100.9 | 368. | N/A | Sasse, Jose, et al., 1988 | Based on data from 353. to 462. K.; AC |
91.3 | 446. | A,EST | Stephenson and Malanowski, 1987 | Based on data from 431. to 642. K. See also Kudchadker and Zwolinski, 1966.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
172.6 ± 2.0 | 391. | B | Piacente, Fontana, et al., 1994 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
78.500 | 316.9 | N/A | Barbillon, Schuffenecker, et al., 1991 | DH |
49.1 | 316.6 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
47.84 | 316.1 | N/A | Domalski and Hearing, 1990 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
93.62 | 315.2 | Domalski and Hearing, 1990 | CAL |
151.36 | 316.1 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
28.605 | 315.5 | crystaline, II | crystaline, I | Claudy and Letoffe, 1991 | DH |
47.801 | 316.8 | crystaline, I | liquid | Claudy and Letoffe, 1991 | DH |
36.350 | 314.45 | crystaline, II | crystaline, I | Domanska and Wyrzykowska-Stankiewicz, 1991, 2 | DH |
39.760 | 315.20 | crystaline, I | liquid | Domanska and Wyrzykowska-Stankiewicz, 1991, 2 | DH |
29.505 | 315.15 | crystaline, II | crystaline, I | Claudy, Letoffe, et al., 1979 | DH |
47.837 | 316.05 | crystaline, I | liquid | Claudy, Letoffe, et al., 1979 | DH |
28.200 | 316.25 | crystaline, II | crystaline, I | Company, 1973 | DH |
48.952 | 317.25 | crystaline, I | liquid | Company, 1973 | DH |
28.870 | 316.15 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
48.953 | 317.15 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
8.950 | 313.4 | crystaline, II | crystaline, I | Garner, Van Bibber, et al., 1931 | DH |
15.210 | 317.0 | 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 |
---|---|---|---|---|---|
93.6 | 315.15 | crystaline, II | crystaline, I | Claudy, Letoffe, et al., 1979 | DH |
151.4 | 316.05 | crystaline, I | liquid | Claudy, Letoffe, et al., 1979 | DH |
89.2 | 316.25 | crystaline, II | crystaline, I | Company, 1973 | DH |
154.3 | 317.25 | crystaline, I | liquid | Company, 1973 | DH |
92.12 | 316.15 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
154.4 | 317.15 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
28.6 | 313.4 | crystaline, II, á | crystaline, I, à transition | Garner, Van Bibber, et al., 1931 | DH |
48.0 | 317.0 | crystaline, I | liquid | Garner, Van Bibber, et al., 1931 | DH |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 | 356.14 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | DB-5MS | 362.61 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Capillary | DB-1 | 374.9 | Johnson, Urso, et al., 1997 | 30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min |
Capillary | DB-1 | 374.9 | Johnson, Urso, et al., 1997 | 30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min |
Capillary | DB-1 | 374.9 | Johnson, Urso, et al., 1997 | 30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid Pc Critical pressure Tboil Boiling point Tc Critical temperature 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 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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