Cetene
- Formula: C16H32
- Molecular weight: 224.4253
- IUPAC Standard InChI: InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
- IUPAC Standard InChIKey: GQEZCXVZFLOKMC-UHFFFAOYSA-N
- CAS Registry Number: 629-73-2
- 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. - Species with the same structure:
- Other names: 1-Hexadecene; α-Hexadecene; n-Hexadec-1-ene; 1-Cetene; Hexadecylene-1; Hexadec-1-ene; Hexadecene-1; Neodene 16; 1-n-Hexadecene; NSC 60602
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -248.4 ± 2.5 | kJ/mol | Ccr | Stridh, 1976 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -250.2 ± 3.0 kJ/mol; ALS |
| ΔfH°gas | -247.2 ± 2.6 | kJ/mol | Ccb | Loeffler and Rossini, 1960 | Reanalyzed by Cox and Pilcher, 1970, Original value = -243.3 ± 3.3 kJ/mol; ALS |
| ΔfH°gas | -249.3 | kJ/mol | N/A | Fraser and Prosen, 1955 | Value computed using ΔfHliquid° value of -329.4±2.1 kj/mol from Fraser and Prosen, 1955 and ΔvapH° value of 80.1 kj/mol from Loeffler and Rossini, 1960.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 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 | -330.5 ± 3.0 | kJ/mol | Ccr | Stridh, 1976 | ALS |
| ΔfH°liquid | -327.3 ± 2.5 | kJ/mol | Ccb | Loeffler and Rossini, 1960 | Reanalyzed by Cox and Pilcher, 1970, Original value = -323.4 ± 3.3 kJ/mol; ALS |
| ΔfH°liquid | -329.4 ± 2.1 | kJ/mol | Ccb | Fraser and Prosen, 1955 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -10539.0 ± 2.0 | kJ/mol | Ccr | Stridh, 1976 | Corresponding ΔfHºliquid = -330.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -10540. ± 2. | kJ/mol | Ccb | Fraser and Prosen, 1955 | Corresponding ΔfHºliquid = -329.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 613.88 | J/mol*K | N/A | Messerly, Todd, et al., 1990 | DH |
| S°liquid | 587.90 | J/mol*K | N/A | McCullough, Finke, et al., 1957 | Does not include S0.; DH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -10546.0 ± 3.1 | kJ/mol | Ccb | Loeffler and Rossini, 1960 | Corresponding ΔfHºsolid = -323.43 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 485.83 | 298.15 | Messerly, Todd, et al., 1990 | T = 10 to 400 K.; DH |
| 488.88 | 298.15 | McCullough, Finke, et al., 1957 | T = 11 to 360 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stridh, 1976
Stridh, G.,
Enthalpies of formation of 1-dodecene and 1-hexadecene and the CH2-increment in the 1-alkene series,
J. Chem. Thermodyn., 1976, 8, 895-899. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Loeffler and Rossini, 1960
Loeffler, S.M.C.; Rossini, F.D.,
Heats of combustion and formation of the higher normal alkyl cyclopentanes, cyclohexanes, benzenes and 1-alkenes in the liquid state at 25°,
J. Phys. Chem., 1960, 64, 1530-1533. [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]
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]
Messerly, Todd, et al., 1990
Messerly, J.F.; Todd, S.S.; Finke, H.L.; Lee-Bechtold, S.H.; Guthrie, G.B.; Steele, W.V.; Chirico, R.D.,
Heat capacities of pent-1-ene (10K to 320K), cis-hex-2-ene (10K to 330K), non-1-ene (10K to 400K), and hexadec-1-ene (10K to 400K),
J. Chem. Thermodynam., 1990, 22, 1107-1128. [all data]
McCullough, Finke, et al., 1957
McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G.,
Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state,
J. Phys. Chem., 1957, 61, 289-301. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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