Decane, 2-methyl-
- Formula: C11H24
- Molecular weight: 156.3083
- IUPAC Standard InChIKey: CNPVJWYWYZMPDS-UHFFFAOYSA-N
- CAS Registry Number: 6975-98-0
- 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: 2-Methyldecane; n-C8H17CH(CH3)2
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°gas | 578.3 ± 2.0 | J/mol*K | N/A | Messerly J.F., 1971 |
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 by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 453.80 | J/mol*K | N/A | Messerly and Finke, 1971 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
341.21 | 298.15 | Messerly and Finke, 1971 | T = 11 to 390 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 462.4 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 462.4 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 462.30 | K | N/A | Anonymous, 1950 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 462.3 | K | N/A | Boord, Greenlee, et al., 1950 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 462.27 | K | N/A | Boord, Greenlee, et al., 1950 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 224.28 ± 0.02 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 224.3000 | K | N/A | Messerly and Finke, 1971, 2 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 224.3100 | K | N/A | Messerly and Finke, 1971, 2 | Uncertainty assigned by TRC = 0.005 K; by extrapolation of 1/F to 0, corrected for impurities; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 629.9 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 54.29 | kJ/mol | N/A | Majer and Svoboda, 1985 |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
40.25 | 462.4 | N/A | Majer and Svoboda, 1985 | |
55.5 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 353. K.; AC |
47.4 | 394. | A | Stephenson and Malanowski, 1987 | Based on data from 379. to 463. K.; AC |
51.9 | 328. | C | Majer, Svoboda, et al., 1984 | AC |
50.6 | 343. | C | Majer, Svoboda, et al., 1984 | AC |
49.5 | 358. | C | Majer, Svoboda, et al., 1984 | AC |
55.4 | 283. | IP | Osborn and Douslin, 1974 | Based on data from 273. to 293. 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)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
328. to 368. | 77.26 | 0.3168 | 629.9 | 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 | Comment |
---|---|---|---|---|---|
273. to 462.37 | 4.21961 | 1640.288 | -72.933 | Osborn and Douslin, 1974 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
25.087 | 224.31 | Messerly and Finke, 1971 | DH |
25.06 | 224.3 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
111.84 | 224.31 | Messerly and Finke, 1971 | DH |
Gas phase ion energetics 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 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) | 9.7 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.34 | EST | Luo and Pacey, 1992 | LL |
9.7 ± 0.1 | EQ | Lias, 1982 | LBLHLM |
9.57 ± 0.15 | EQ | Mautner(Meot-Ner), Sieck, et al., 1981 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Messerly J.F., 1971
Messerly J.F.,
Low-temperature thermal properties of 2-methylheptane and 2-methyldecane: the thermodynamic properties of 2-methylalkanes,
J. Chem. Thermodyn., 1971, 3, 675-687. [all data]
Messerly and Finke, 1971
Messerly, J.F.; Finke, H.L.,
Low-temperature thermal properties of 2-methylheptane and 2-methyldecane: the thermodynamic properties of the 2-methylalkanes,
J. Chem. Thermodynam., 1971, 3, 675-687. [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]
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]
Anonymous, 1950
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 6, Natl. Bur. Stand., 1950. [all data]
Boord, Greenlee, et al., 1950
Boord, C.E.; Greenlee, K.W.; Derfer, J.M.,
The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Wt., Am. Pet. Inst. Res. Proj. 45, Twelfth Annu. Rep., Ohio State Univ., 1950. [all data]
Messerly and Finke, 1971, 2
Messerly, J.F.; Finke, H.L.,
Low-temperature Thermal Properties of 2-Methyldecane: the Thermodynamic Properties of the 2-Methylalkanes,
J. Chem. Thermodyn., 1971, 3, 675-87. [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]
Majer, Svoboda, et al., 1984
Majer, V.; Svoboda, V.; Pechacek, J.; Hala, S.,
Enthalpies of vaporization and cohesive energies of eight C9 to C11,
J. Chem. Thermodyn., 1984, 16, 567-572. [all data]
Osborn and Douslin, 1974
Osborn, Ann G.; Douslin, Donald R.,
Vapor-pressure relations for 15 hydrocarbons,
J. Chem. Eng. Data, 1974, 19, 2, 114-117, https://doi.org/10.1021/je60061a022
. [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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy 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 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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