Tridecane
- Formula: C13H28
- Molecular weight: 184.3614
- IUPAC Standard InChIKey: IIYFAKIEWZDVMP-UHFFFAOYSA-N
- CAS Registry Number: 629-50-5
- 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-Tridecane; Tridecane, n-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -311.5 ± 1.6 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 661.45 | J/mol*K | N/A | Stull D.R., 1969 | This value is based on the low-temperature results [ Finke H.L., 1954] for S(liquid).; GT |
Condensed phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -377.7 ± 1.6 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -8739.7 ± 1.4 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -377.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 522.87 | J/mol*K | N/A | Finke, Gross, et al., 1954 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
409.40 | 303.15 | Woycicka and Kalinowska, 1975 | DH |
406.89 | 298.15 | Finke, Gross, et al., 1954 | T = 12 to 310 K.; DH |
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
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 | 507. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 268. ± 1. | K | AVG | N/A | Average of 19 out of 20 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 267.79 ± 0.01 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 676. ± 1. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 17. ± 1. | bar | N/A | Ambrose and Tsonopoulos, 1995 | |
Pc | 16.79 | bar | N/A | Rosenthal and Teja, 1989 | Uncertainty assigned by TRC = 0.20 bar; TRC |
Pc | 17.20 | bar | N/A | Teja, Lee, et al., 1989 | TRC |
Pc | 17.25 | bar | N/A | Pak and Kay, 1972 | Uncertainty assigned by TRC = 0.3447 bar; corrected for vapor pressure of Hg, and extrapolated to zero to correct for decomposition; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.823 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.2 ± 0.1 | mol/l | N/A | Ambrose and Tsonopoulos, 1995 | |
ρc | 1.22 | mol/l | N/A | Anselme, Gude, et al., 1990 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 66.43 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 66.7 | kJ/mol | N/A | Ruzicka and Majer, 1994 | AC |
ΔvapH° | 66.5 ± 0.2 | kJ/mol | C | Sunner and Svensson, 1979 | AC |
ΔvapH° | 66.4 ± 0.3 | kJ/mol | C | Morawetz, 1972 | AC |
ΔvapH° | 66.2 | kJ/mol | N/A | Reid, 1972 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 91.4 | kJ/mol | B | Morawetz, 1972, 2 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
65.3 | 309. | C | Viton, Chavret, et al., 1996 | AC |
64.9 | 314. | C | Viton, Chavret, et al., 1996 | AC |
64.2 | 324. | C | Viton, Chavret, et al., 1996 | AC |
63.3 | 334. | C | Viton, Chavret, et al., 1996 | AC |
62.4 | 344. | C | Viton, Chavret, et al., 1996 | AC |
62.3 | 349. | C | Viton, Chavret, et al., 1996 | AC |
54.5 | 432. | A | Stephenson and Malanowski, 1987 | Based on data from 417. to 511. K. See also Camin and Rossini, 1955.; AC |
65.6 | 308. | C | Sunner and Svensson, 1979 | AC |
64.6 | 318. | C | Sunner and Svensson, 1979 | AC |
61.7 | 348. | C | Sunner and Svensson, 1979 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 348. | 94.73 | 0.3468 | 675.8 | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|
412.5 to 509.21 | 4.12829 | 1689.093 | -98.866 | Camin and Rossini, 1955 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
28.9 | 267.7 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
28.49 | 267.8 | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
30.04 | 255. | Domalski and Hearing, 1996 | CAL |
106.27 | 267.8 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.661 | 255.0 | crystaline, II | crystaline, I | Finke, Gross, et al., 1954 | DH |
28.501 | 267.79 | crystaline, I | liquid | Finke, Gross, et al., 1954 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
30.04 | 255.0 | crystaline, II | crystaline, I | Finke, Gross, et al., 1954 | DH |
106.43 | 267.79 | crystaline, I | liquid | Finke, Gross, et al., 1954 | DH |
Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: H2 + C13H26 = C13H28
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -125.8 ± 1.9 | kJ/mol | Chyd | Rogers and Skanupong, 1974 | liquid phase; solvent: Hexane |
IR Spectrum
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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 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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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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61976 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 | 218.83 | 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 | 221.55 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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.
Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D.,
Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
J. Res. NBS, 1945, 263-267. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
Finke H.L., 1954
Finke H.L.,
Low-temperature thermal data for the nine normal paraffin hydrocarbons from octane to hexadecane,
J. Am. Chem. Soc., 1954, 76, 333-341. [all data]
Finke, Gross, et al., 1954
Finke, H.L.; Gross, M.E.; Waddington, G.; Huffman, H.M.,
Low-temperature thermal data for the nine normal paraffin hydrocarbons from octane to hexadecane,
J. Am. Chem. Soc., 1954, 76, 333-341. [all data]
Woycicka and Kalinowska, 1975
Woycicka, M.K.; Kalinowska, B.,
Enthalpies of mixing and excess heat capacities of dilute solutions of n-decanol with n-heptane and n-tridecane, Bull. Acad. Pol. Sci.,
Ser. Sci. Chim., 1975, 23, 759-764. [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]
Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S.,
The Critical Properties of n-Alkanes Using a Low-Residence Time Flow Apparatus,
AIChE J., 1989, 35, 1829. [all data]
Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J.,
Correlation of the Critical Properties of Alkanes and Alkanols
in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]
Pak and Kay, 1972
Pak, S.C.; Kay, W.B.,
Gas-Liquid Critical Temperatures of Mixtures. Benzene + n-Alkanes and Hexafluorobenzene + n-Alkanes,
Ind. Eng. Chem. Fundam., 1972, 11, 255. [all data]
Anselme, Gude, et al., 1990
Anselme, M.J.; Gude, M.; Teja, A.S.,
The Critical Temperatures and Densities of the n-Alkanes from Pentane to Octadecane,
Fluid Phase Equilib., 1990, 57, 317-26. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Ruzicka and Majer, 1994
Ruzicka, Kvetoslav; Majer, Vladimir,
Simultaneous Treatment of Vapor Pressures and Related Thermal Data Between the Triple and Normal Boiling Temperatures for n-Alkanes C5--C20,
J. Phys. Chem. Ref. Data, 1994, 23, 1, 1, https://doi.org/10.1063/1.555942
. [all data]
Sunner and Svensson, 1979
Sunner, Stig; Svensson, Christer,
Twin calorimeter for the determination of enthalpies of vaporization of small samples from 300 to 420 K,
J. Chem. Soc., Faraday Trans. 1, 1979, 75, 0, 2359, https://doi.org/10.1039/f19797502359
. [all data]
Morawetz, 1972
Morawetz, E.,
Enthalpies of vaporization of n-alkanes from C12 to C20,
J. Chem. Thermodyn., 1972, 4, 139-144. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Morawetz, 1972, 2
Morawetz, Ernst,
Correlation of sublimation enthalpies at 298.15 K with molecular structure for planar aromatic hydrocarbons,
The Journal of Chemical Thermodynamics, 1972, 4, 3, 461-467, https://doi.org/10.1016/0021-9614(72)90030-4
. [all data]
Viton, Chavret, et al., 1996
Viton, C.; Chavret, M.; Jose, J.,
Enthalpies of vaporization of normal alkanes from nonane to pentadecane at temperatures from 298 to 359 K,
ELDATA: Int. Electron. J. Phys. Chem. Data, 1996, 2, 3, 103. [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]
Camin and Rossini, 1955
Camin, David L.; Rossini, Frederick D.,
Physical Properties of Fourteen API Research Hydrocarbons, C 9 to C 15,
J. Phys. Chem., 1955, 59, 11, 1173-1179, https://doi.org/10.1021/j150533a014
. [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]
Rogers and Skanupong, 1974
Rogers, D.W.; Skanupong, S.,
Heats of hydrogenation of sixteen terminal monoolefins. The alternating effect,
J. Phys. Chem., 1974, 78, 2569-2572. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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