Heptadecane
- Formula: C17H36
- Molecular weight: 240.4677
- IUPAC Standard InChIKey: NDJKXXJCMXVBJW-UHFFFAOYSA-N
- CAS Registry Number: 629-78-7
- 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-Heptadecane; Normal-heptadecane
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -393.9 ± 2.4 | kJ/mol | Ccb | Prosen and Rossini, 1945 |
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 | -479.5 ± 2.4 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -11351.2 ± 2.2 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -483.42 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 652.24 | J/mol*K | N/A | Messerly, Guthrie, et al., 1967 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
534.34 | 298.15 | Messerly, Guthrie, et al., 1967 | T = 12 to 380 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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 | 575.0 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 574.25 | K | N/A | Ivanov, Ivanov, et al., 1954 | Uncertainty assigned by TRC = 0.7 K; TRC |
Tboil | 563.15 | K | N/A | Matsui and Arakawa, 1932 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 561.65 | K | N/A | Mabery, 1902 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 561.65 | K | N/A | Mabery, 1900 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 295.1 ± 0.9 | K | AVG | N/A | Average of 28 out of 29 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 295.14 | K | N/A | Messerly, Guthrie, et al., 1967, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.04 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 734. ± 7. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 13. ± 2. | bar | N/A | Ambrose and Tsonopoulos, 1995 | |
Pc | 13.20 | bar | N/A | Nikitin, Pavlov, et al., 1994 | Uncertainty assigned by TRC = 0.40 bar; TRC |
Pc | 13.42 | bar | N/A | Rosenthal and Teja, 1989 | Uncertainty assigned by TRC = 1.60 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 1.103 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 0.9 ± 0.2 | mol/l | N/A | Ambrose and Tsonopoulos, 1995 | |
ρc | 0.907 | mol/l | N/A | Anselme, Gude, et al., 1990 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 86.02 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 86.5 | kJ/mol | N/A | Ruzicka and Majer, 1994 | AC |
ΔvapH° | 86.0 ± 0.8 | kJ/mol | C | Morawetz, 1972 | AC |
ΔvapH° | 86.2 | kJ/mol | N/A | Reid, 1972 | AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 125.1 | kJ/mol | N/A | Morawetz, 1972, 2 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
434.9 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
91.1 | 304. | A | Stephenson and Malanowski, 1987 | Based on data from 289. to 320. K.; AC |
62.9 | 503. | A | Stephenson and Malanowski, 1987 | Based on data from 488. to 577. K.; AC |
71.6 | 457. | ME | Ubbelohde, 1938 | Based on data from 445. to 470. K.; AC |
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 | Comment |
---|---|---|---|---|---|
436.7 to 576. | 3.9273 | 1718.004 | -138.126 | Krafft, 1882 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
131.5 ± 4.6 | 288. | V | Bradley and Shellard, 1949 | hfusion=11.4±1.8 kcal/mol; ALS |
131. ± 13. | 290. | ME | Bradley and Shellard, 1949 | Based on data from 288. to 293. K. See also Jones, 1960.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
39.4 | 294.7 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
40.17 | 295.1 | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.56 | 284.3 | Domalski and Hearing, 1996 | CAL |
136.11 | 295.1 |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
283.65 | crystaline, II | crystaline, I | Schaerer, Busso, et al., 1955 | DH |
294.85 | crystaline, I | liquid | Schaerer, Busso, et al., 1955 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
10.942 | 284.27 | crystaline, II | crystaline, I | Messerly, Guthrie, et al., 1967 | DH |
40.164 | 295.14 | crystaline, I | liquid | Messerly, Guthrie, et al., 1967 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
38.50 | 284.27 | crystaline, II | crystaline, I | Messerly, Guthrie, et al., 1967 | DH |
136.08 | 295.14 | crystaline, I | liquid | Messerly, Guthrie, et al., 1967 | 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 |
---|---|---|---|---|
0.018 | 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 | 282.99 | 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 | 287.19 | 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, 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]
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,
J. Chem. Eng. Data, 1967, 12, 338-346. [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]
Ivanov, Ivanov, et al., 1954
Ivanov, D.; Ivanov, Ch.; Stoianova-Ivanova, B.,
Composistion of Stearoptene from Bulgarian Rose Oil. II. Saturated Hydrocarbons Other Than Eicosane,
Dokl. Bolg. Akad. Nauk, 1954, 7, 17-20. [all data]
Matsui and Arakawa, 1932
Matsui, M.; Arakawa, S.,
Mem. Coll. Sci., Univ. Kyoto, Ser. A, 1932, 15, 189. [all data]
Mabery, 1902
Mabery, C.F.,
Am. Chem. J., 1902, 28, 165. [all data]
Mabery, 1900
Mabery, C.F.,
J. Soc. Chem. Ind., London, 1900, 19, 502. [all data]
Messerly, Guthrie, et al., 1967, 2
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]
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]
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]
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]
Morawetz, 1972
Morawetz, Ernst,
Enthalpies of vaporization for a number of aromatic compounds,
The Journal of Chemical Thermodynamics, 1972, 4, 3, 455-460, https://doi.org/10.1016/0021-9614(72)90029-8
. [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]
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]
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]
Krafft, 1882
Krafft, F.,
Ueber neunzehn höhere Normalparaffine Cn H2n + 2 und ein einfaches Volumgesetz für den tropfbar flüssigen Zustand. I,
Ber. Dtsch. Chem. Ges., 1882, 15, 2, 1687-1711, https://doi.org/10.1002/cber.18820150258
. [all data]
Bradley and Shellard, 1949
Bradley, R.S.; Shellard, A.D.,
The rate of evaporation of droplets. III. Vapour pressures and rates of evaporation of straight-chain paraffin hydrocarbons,
Proc. Roy. Soc. London A, 1949, 198, 239-251. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [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]
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]
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°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Ttrs Temperature of phase transition 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 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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