Hexadecane
- Formula: C16H34
- Molecular weight: 226.4412
- IUPAC Standard InChIKey: DCAYPVUWAIABOU-UHFFFAOYSA-N
- CAS Registry Number: 544-76-3
- 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-Cetane; n-Hexadecane; Cetane
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Gas phase thermochemistry data
Go To: Top, Henry's Law data, 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:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -374.9 | kJ/mol | N/A | Fraser and Prosen, 1955 | Value computed using ΔfHliquid° value of -456.3±2 kj/mol from Fraser and Prosen, 1955 and ΔvapH° value of 81.38 kj/mol from missing citation.; DRB |
ΔfH°gas | -374.7 | kJ/mol | N/A | Richardson and Parks, 1939 | Value computed using ΔfHliquid° value of -456.1±4.1 kj/mol from Richardson and Parks, 1939 and ΔvapH° value of 81.38 kj/mol from missing citation.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 778.31 | 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 |
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 |
---|---|---|---|---|
0.0043 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Henry's Law 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: 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 | 268.29 | 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 | 272.02 | 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, 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.
Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J.,
Heats of combustion of liquid n-hexadecane, 1-hexadecene, n-decylbenzene, n-decylcyclohexane, n-decylcyclopentane, and the variation of heat of combustion with chain length,
J. Res. NBS, 1955, 55, 329-333. [all data]
Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S.,
Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen,
J. Am. Chem. Soc., 1939, 61, 3543-3546. [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]
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, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
S°gas Entropy of gas at standard conditions d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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