Tricosane
- Formula: C23H48
- Molecular weight: 324.6272
- IUPAC Standard InChIKey: FIGVVZUWCLSUEI-UHFFFAOYSA-N
- CAS Registry Number: 638-67-5
- 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-Tricosane
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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 |
---|---|---|---|
185. | 353. | Atkinson, Larkin, et al., 1969 | T = 353 to 453 K. |
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:
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 | 653.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 593.9 | K | N/A | Tsakalotos, 1906 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 320. ± 1. | K | AVG | N/A | Average of 15 out of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 790. ± 8. | K | N/A | Ambrose and Tsonopoulos, 1995 | |
Tc | 789.7 | K | N/A | Nikitin, Pavlov, et al., 1994 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 9. ± 2. | atm | N/A | Ambrose and Tsonopoulos, 1995 | |
Pc | 9.03 | atm | N/A | Nikitin, Pavlov, et al., 1994 | Uncertainty assigned by TRC = 0.39 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 28.0 | kcal/mol | CGC | Chickos and Hanshaw, 2004 | Based on data from 434. to 539. K.; AC |
ΔvapH° | 28.37 ± 0.02 | kcal/mol | GS | Puri, Chickos, et al., 2001 | AC |
ΔvapH° | 28.61 ± 0.55 | kcal/mol | CGC | Nichols, Orf, et al., 2000 | AC |
ΔvapH° | 28.80 ± 0.48 | kcal/mol | CGC | Dikii and Kabo, 1991 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
472.7 | 0.004 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.3 | 427. | N/A | Sawaya, Mokbel, et al., 2006 | Based on data from 412. to 462. K.; AC |
29.4 ± 0.2 | 393. | TE | Piacente, Fontana, et al., 1994 | Based on data from 370. to 416. K.; AC |
22. | 385. | TE,ME,GS | Piacente, Pompili, et al., 1991 | Based on data from 370. to 490. K.; AC |
26.39 | 329. | A | Stephenson and Malanowski, 1987 | Based on data from 314. to 353. K.; AC |
22. | 455. | A,EST | Stephenson and Malanowski, 1987 | Based on data from 440. to 653. K. See also Kudchadker and Zwolinski, 1966.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
443. to 639.7 | 6.55135 | 4200.069 | 1.864 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.6 | 320.2 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
12.90 | 320.7 | N/A | Domalski and Hearing, 1990 | AC |
18.332 | 319.7 | N/A | Syunyaev, Tumanyan, et al., 1984 | Relative error in determination ± 5%.; DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
57.34 | 319.7 | Syunyaev, Tumanyan, et al., 1984 | Relative; DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.58 | 313.7 | Domalski and Hearing, 1990 | CAL |
40.232 | 320.7 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
5.1386 | 313.5 | crystaline, II | crystaline, I | Barbillon, Schuffenecker, et al., 1991 | DH |
12.488 | 320.8 | crystaline, I | liquid | Barbillon, Schuffenecker, et al., 1991 | DH |
5.2000 | 313.65 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
12.900 | 320.65 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
16.6 | 313.65 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
40.22 | 320.65 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
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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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 |
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
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-5921 |
NIST MS number | 233043 |
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 | 369.44 | 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 | 376.29 | 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 | 388.7 | 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 | 388.7 | 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 | 388.8 | 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, 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]
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]
Tsakalotos, 1906
Tsakalotos, D.E.,
C. R. Hebd. Seances Acad. Sci., 1906, 143, 1235. [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]
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]
Dikii and Kabo, 1991
Dikii, V.V.; Kabo, G.Ya.,
Thermodynamic properties and pseudorotation of cyclopentanone,
Dokl. Akad. Nauk SSSR, 1991, 35, 2, 158. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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, 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]
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]
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]
Syunyaev, Tumanyan, et al., 1984
Syunyaev, Z.I.; Tumanyan, B.P.; Kolesnikov, S.I.; Zhokhova, N.I.,
Some anomalies in melting points of binary mixtures of solid hydrocarbons,
Zhur. Prikl. Khim. (Leningrad), 1984, 57, 666-669. [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]
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
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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