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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Condensed phase thermochemistry data
Go To: Top, 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 | -78.99 ± 0.72 | kcal/mol | Ccr | Stridh, 1976 | ALS |
| ΔfH°liquid | -78.23 ± 0.60 | kcal/mol | Ccb | Loeffler and Rossini, 1960 | Reanalyzed by Cox and Pilcher, 1970, Original value = -77.30 ± 0.78 kcal/mol; ALS |
| ΔfH°liquid | -78.73 ± 0.50 | kcal/mol | Ccb | Fraser and Prosen, 1955 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2518.88 ± 0.48 | kcal/mol | Ccr | Stridh, 1976 | Corresponding ΔfHºliquid = -78.97 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -2519.2 ± 0.4 | kcal/mol | Ccb | Fraser and Prosen, 1955 | Corresponding ΔfHºliquid = -78.69 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 146.72 | cal/mol*K | N/A | Messerly, Todd, et al., 1990 | DH |
| S°liquid | 140.51 | cal/mol*K | N/A | McCullough, Finke, et al., 1957 | Does not include S0.; DH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2520.56 ± 0.73 | kcal/mol | Ccb | Loeffler and Rossini, 1960 | Corresponding ΔfHºsolid = -77.302 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 116.12 | 298.15 | Messerly, Todd, et al., 1990 | T = 10 to 400 K.; DH |
| 116.85 | 298.15 | McCullough, Finke, et al., 1957 | T = 11 to 360 K.; DH |
References
Go To: Top, 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]
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, 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°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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