Pentadecane
- Formula: C15H32
- Molecular weight: 212.4146
- IUPAC Standard InChIKey: YCOZIPAWZNQLMR-UHFFFAOYSA-N
- CAS Registry Number: 629-62-9
- 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-Pentadecane; CH3(CH2)13CH3
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Gas 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -354.8 ± 2.0 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 738.94 | 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 | -428.8 ± 2.0 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -10047.3 ± 1.8 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -428.61 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 587.52 | 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 |
---|---|---|---|
470.48 | 298.15 | Trejo, Costas, et al., 1991 | DH |
468.81 | 298.15 | Costas, Huu, et al., 1988 | DH |
467.81 | 298.15 | Grolier, Inglese, et al., 1981 | DH |
469.95 | 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 | 540. ± 20. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 283.0 ± 0.1 | K | AVG | N/A | Average of 19 out of 24 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 283.10 | K | N/A | Messerly, Guthrie, et al., 1967 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 283.10 | K | N/A | Finke, Gross, et al., 1954, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 283.100 | K | N/A | Waddington, 1950 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 283.090 | K | N/A | Waddington, 1950 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 708. ± 2. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 15. ± 2. | bar | N/A | Ambrose and Tsonopoulos, 1995 | |
Pc | 14.79 | bar | N/A | Rosenthal and Teja, 1989 | Uncertainty assigned by TRC = 0.0002 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.966 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.0 ± 0.2 | mol/l | N/A | Ambrose and Tsonopoulos, 1995 | |
ρc | 1.04 | mol/l | N/A | Anselme, Gude, et al., 1990 | Uncertainty assigned by TRC = 0.003 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 76.1 ± 0.8 | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 107.8 | kJ/mol | B | Morawetz, 1972 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
409.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
72.9 | 334. | C | Viton, Chavret, et al., 1996 | AC |
71.8 | 344. | C | Viton, Chavret, et al., 1996 | AC |
67.5 | 381. | A | Stephenson and Malanowski, 1987 | Based on data from 366. to 409. K.; AC |
59.6 | 462. | A | Stephenson and Malanowski, 1987 | Based on data from 447. to 546. K. See also Camin and Rossini, 1955.; AC |
66.4 | 350. | GS | Allemand, Jose, et al., 1986 | Based on data from 333. to 409. K.; AC |
70.8 | 353. | C | Sunner and Svensson, 1979 | AC |
68.8 | 373. | C | Sunner and Svensson, 1979 | AC |
72.2 ± 1.2 | 333. | C | Sunner and Svensson, 1979 | AC |
61.9 | 447. | ME | Ubbelohde, 1938 | Based on data from 430. to 464. K.; 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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 373. | 106.8 | 0.3496 | 707. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
442.84 to 543.7 | 4.14935 | 1789.658 | -111.859 | Camin and Rossini, 1955 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
34.2 | 282.7 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
34.6 | 283.1 | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.85 | 270.9 | Domalski and Hearing, 1996 | CAL |
122.17 | 283.1 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
9.167 | 270.9 | crystaline, II | crystaline, I | Finke, Gross, et al., 1954 | DH |
34.593 | 283.11 | 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 |
---|---|---|---|---|---|
33.84 | 270.9 | crystaline, II | crystaline, I | Finke, Gross, et al., 1954 | DH |
122.19 | 283.11 | crystaline, I | liquid | Finke, Gross, et al., 1954 | DH |
Henry's Law 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0021 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
Gas Chromatography
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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
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 252.61 | 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 | 256.12 | 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 | 264.6 | 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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, 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]
Trejo, Costas, et al., 1991
Trejo, L.M.; Costas, M.; Patterson, D.,
Excess heat capacity of organic mixtures, Internat. DATA Series,
Selected Data Mixt., 1991, Ser. [all data]
Costas, Huu, et al., 1988
Costas, M.; Huu, V.T.; Patterson, D.; Caceres-Alonso, M.; Tardajos, G.; Aicart, E.,
Liquid structure and second-order mixing functions for l-chloronaphthalene with linear and branched alkanes, J. Chem. Soc.,
Faraday Trans., 1988, 1 84(5), 1603-1616. [all data]
Grolier, Inglese, et al., 1981
Grolier, J.P.E.; Inglese, A.; Roux, A.H.; Wilhelm, E.,
Thermodynamics of (1-chloronaphthalene + n-alkane): excess enthalpies, excess volumes and excess heat capacities,
Ber. Bunsenges. Phys. Chem., 1981, 85, 768-772. [all data]
Messerly, Guthrie, et al., 1967
Messerly, J.F.; Guthrie, G.B.; Todd, S.S.; Finke, H.L.,
Low-Temperature Thermal Data for n-Pentane, n-Heptadecane and n-Octadecane. Revised Thermodynamic Functions for ther n-Alkanes, C5 - C18,
J. Chem. Eng. Data, 1967, 12, 338-46. [all data]
Finke, Gross, et al., 1954, 2
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, 333-41. [all data]
Waddington, 1950
Waddington, G.,
Personal Commun., U. S. Bur. Mines, Bartlesville, OK, March 2, 1950. [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]
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]
Morawetz, 1972
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]
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]
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]
Allemand, Jose, et al., 1986
Allemand, Nadine; Jose, Jacques; Merlin, J.C.,
Mesure des pressions de vapeur d'hydrocarbures C10 A C18n-alcanes etn-alkylbenzenes dans le domaine 3-1000 pascal,
Thermochimica Acta, 1986, 105, 79-90, https://doi.org/10.1016/0040-6031(86)85225-X
. [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]
Ubbelohde, 1938
Ubbelohde, A.R.,
Structure and thermodynamic properties of long-chain compounds,
Trans. Faraday Soc., 1938, 34, 282, https://doi.org/10.1039/tf9383400282
. [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]
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]
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, 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 d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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 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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