Dodecane
- Formula: C12H26
- Molecular weight: 170.3348
- IUPAC Standard InChI: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
- IUPAC Standard InChIKey: SNRUBQQJIBEYMU-UHFFFAOYSA-N
- CAS Registry Number: 112-40-3
- 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-Dodecane; Adakane 12; Ba 51-090453; CH3(CH2)10CH3; Bihexyl; Dihexyl; Duodecane; NSC 8714
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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 | -290.9 ± 1.4 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| ΔfH°gas | -288.1 ± 3.3 | kJ/mol | Ccb | Prosen and Rossini, 1945, 2 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 622.50 | 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 |
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: C12H24 + H2 = C12H26
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -125.4 ± 1.5 | kJ/mol | Chyd | Rogers and Skanupong, 1974 | liquid phase; solvent: Hexane |
| ΔrH° | 125.7 ± 2.1 | kJ/mol | Chyd | Bretschneider and Rogers, 1970 | liquid phase; solvent: glacial acetic acid |
=
By formula: C12H26 = C12H26
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.7 | kJ/mol | Ccb | Melaugh, Mansson, et al., 1976 | liquid phase; Unpublished results of Zwolinski and Desai |
| ΔrH° | -12.2 ± 1.4 | kJ/mol | Ccb | Melaugh, Mansson, et al., 1976 | liquid phase |
4 +
=
By formula: 4H2 + C12H18 = C12H26
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -549. ± 2. | kJ/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase |
+ 4
=
By formula: C12H18 + 4H2 = C12H26
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -532. ± 3. | kJ/mol | Chyd | Flitcroft, Skinner, et al., 1957 | liquid phase |
+
= C12H26O3S +
By formula: C12H26 + H2O4S = C12H26O3S + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 290. ± 17. | kJ/mol | Cm | Roth and Rist-Schumacher, 1944 | liquid phase |
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 compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H12+ | 10.40 | ? | EI | Lewis and Hamill, 1970 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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.
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]
Prosen and Rossini, 1945, 2
Prosen, E.J.; Rossini, F.D.,
Heats of formation and combustion of 1,3-butadiene and styrene,
J. Res. NBS, 1945, 34, 59-63. [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]
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]
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]
Bretschneider and Rogers, 1970
Bretschneider, E.; Rogers, D.W.,
A new microcalorimeter: heats of hydrogenation of four monoolefins,
Mikrochim. Acta, 1970, 482-490. [all data]
Melaugh, Mansson, et al., 1976
Melaugh, R.A.; Mansson, M.; Rossini, F.D.,
The energy of isomerization of n-dodecane into 2,2,4,6,6-pentamethylheptane,
J. Chem. Thermodyn., 1976, 8, 623-626. [all data]
Flitcroft, Skinner, et al., 1957
Flitcroft, T.; Skinner, H.A.; Whiting, M.C.,
Heats of hydrogenation Part 1.-Dodeca-3:9 and -5:7 Diynes,
Trans. Faraday Soc., 1957, 53, 784-790. [all data]
Roth and Rist-Schumacher, 1944
Roth, W.A.; Rist-Schumacher, E.,
Beitrag zur thermochemie der sulfonsauren und saurechlorid,
Z. Electrochem., 1944, 50, 7-9. [all data]
Lewis and Hamill, 1970
Lewis, D.; Hamill, W.H.,
Excited states of neutral molecular fragments from appearance potentials by electron impact in a mass spectrometer,
J. Chem. Phys., 1970, 52, 6348. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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