Undecane
- Formula: C11H24
- Molecular weight: 156.3083
- IUPAC Standard InChIKey: RSJKGSCJYJTIGS-UHFFFAOYSA-N
- CAS Registry Number: 1120-21-4
- 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-Undecane; Hendecane; n-C11H24; UN 2330
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 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 | -270.3 ± 1.3 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 583.58 | 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 | -327.2 ± 2.6 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Reanalyzed by Cox and Pilcher, 1970, Original value = -326.6 ± 1.3 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -7431.3 ± 2.6 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Reanalyzed by Cox and Pilcher, 1970, Original value = -7432.1 ± 1.0 kJ/mol; Corresponding ΔfHºliquid = -327.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -7426.4 | kJ/mol | Ccb | Jessup, 1937 | Corresponding ΔfHºliquid = -332.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 458.15 | J/mol*K | N/A | Finke, Gross, et al., 1954 | DH |
S°liquid | 464.0 | J/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 100.08 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
341.1 | 292.29 | Grigor'ev and Andolenko, 1984 | T = 292 to 433 K. Unsmoothed experimental datum given as 2.181 kJ/kg*K.; DH |
345.05 | 298.15 | Finke, Gross, et al., 1954 | T = 12 to 320 K.; DH |
342.7 | 298.0 | Huffman, Parks, et al., 1931 | T = 92 to 298 K. Value is unsmoothed experimental datum.; 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 | 468. ± 2. | K | AVG | N/A | Average of 39 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 247.4 ± 0.8 | K | AVG | N/A | Average of 25 out of 28 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 247.58 | K | N/A | Messerly, Guthrie, et al., 1967 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 247.590 | K | N/A | Finke, Gross, et al., 1954, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC |
Ttriple | 247.580 | K | N/A | Waddington, 1950 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 247.590 | K | N/A | Waddington, 1950 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 247.2 | K | N/A | Huffman, Parks, et al., 1931, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 639. ± 1. | K | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 19.8 ± 0.4 | bar | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.689 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.5 ± 0.1 | mol/l | N/A | Ambrose and Tsonopoulos, 1995 | |
ρc | 1.77 | mol/l | N/A | Anselme, Gude, et al., 1990 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 56.4 ± 0.2 | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
56.2 | 299. | C | Viton, Chavret, et al., 1996 | AC |
55.4 | 314. | C | Viton, Chavret, et al., 1996 | AC |
54.5 | 324. | C | Viton, Chavret, et al., 1996 | AC |
54.0 | 334. | C | Viton, Chavret, et al., 1996 | AC |
53.1 | 344. | C | Viton, Chavret, et al., 1996 | AC |
60.0 | 293. | A | Stephenson and Malanowski, 1987 | Based on data from 278. to 470. K.; AC |
49.1 | 393. | N/A | Camin and Rossini, 1955 | Based on data from 378. to 470. K.; AC |
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 |
---|---|---|---|---|
377.61 to 470.42 | 4.10164 | 1572.477 | -85.128 | Camin and Rossini, 1955 |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
91.5 | 236. | B | Bondi, 1963 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.5 | 247.6 | DSC | Mondieig, Rajabalee, et al., 2004 | AC |
22.18 | 247.6 | N/A | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
29. | 236.6 | Domalski and Hearing, 1996 | CAL |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.858 | 236.6 | crystaline, II | crystaline, I | Finke, Gross, et al., 1954 | DH |
22.179 | 247.59 | crystaline, I | liquid | Finke, Gross, et al., 1954 | DH |
6.339 | 236.1 | crystaline, II | crystaline, I | Huffman, Parks, et al., 1931 | DH |
22.313 | 247.2 | crystaline, I | liquid | Huffman, Parks, et al., 1931 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
23.99 | 236.6 | crystaline, II | crystaline, I | Finke, Gross, et al., 1954 | DH |
89.58 | 247.59 | crystaline, I | liquid | Finke, Gross, et al., 1954 | DH |
26.8 | 236.1 | crystaline, II | crystaline, I | Huffman, Parks, et al., 1931 | DH |
90.3 | 247.2 | crystaline, I | liquid | Huffman, Parks, et al., 1931 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: 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 + C11H22 = C11H24
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -123.8 ± 1.8 | kJ/mol | Chyd | Rogers and Skanupong, 1974 | liquid phase; solvent: Hexane |
Gas phase ion energetics data
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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.56 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.59 | EST | Luo and Pacey, 1992 | LL |
9.56 ± 0.10 | EQ | Lias, 1982 | LBLHLM |
9.45 ± 0.15 | EQ | Mautner(Meot-Ner), Sieck, et al., 1981 | LLK |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 | 180.44 | 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 | 183.23 | 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, Gas phase ion energetics data, IR Spectrum, 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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Jessup, 1937
Jessup, R.S.,
Heats of combustion of the liquid normal paraffin hydrocarbons from hexane to dodecane,
J. Res. NBS, 1937, 18, 114-128. [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]
Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M.,
Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons,
J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]
Grigor'ev and Andolenko, 1984
Grigor'ev, B.A.; Andolenko, R.A.,
Investigation of the isobaric heat capacity of n-paraffinic hydrocarbons at atmospheric pressure, Izv. Vyssh. Ucheb. Zaved.,
Neft i Gaz, 1984, (2), 60-62. [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]
Huffman, Parks, et al., 1931, 2
Huffman, H.M.; Parks, G.S.; Barmore, M.,
Thermal Data on Organic Compounds X. Further Studies on the Heat Capacities, Entropies, and Free Energies of Hydrocarbons,
J. Am. Chem. Soc., 1931, 53, 3876-88. [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]
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]
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]
Bondi, 1963
Bondi, A.,
Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments.,
J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027
. [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]
Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D.,
Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes,
Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]
Lias, 1982
Lias, S.G.,
Thermochemical information from ion-molecule rate constants,
Ion Cyclotron Reson. Spectrom. 1982, 1982, 409. [all data]
Mautner(Meot-Ner), Sieck, et al., 1981
Mautner(Meot-Ner), M.; Sieck, L.W.; Ausloos, P.,
Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects,
J. Am. Chem. Soc., 1981, 103, 5342. [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, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy 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 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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