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Cetene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafgas-59.37 ± 0.60kcal/molCcrStridh, 1976Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -59.80 ± 0.72 kcal/mol; ALS
Deltafgas-59.09 ± 0.61kcal/molCcbLoeffler and Rossini, 1960Reanalyzed by Cox and Pilcher, 1970, Original value = -58.16 ± 0.79 kcal/mol; ALS
Deltafgas-59.58kcal/molN/AFraser and Prosen, 1955Value computed using «DELTA»fHliquid° value of -329.4±2.1 kj/mol from Fraser and Prosen, 1955 and «DELTA»vapH° value of 80.1 kj/mol from Loeffler and Rossini, 1960.; DRB

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 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
Deltafliquid-78.99 ± 0.72kcal/molCcrStridh, 1976ALS
Deltafliquid-78.23 ± 0.60kcal/molCcbLoeffler and Rossini, 1960Reanalyzed by Cox and Pilcher, 1970, Original value = -77.30 ± 0.78 kcal/mol; ALS
Deltafliquid-78.73 ± 0.50kcal/molCcbFraser and Prosen, 1955ALS
Quantity Value Units Method Reference Comment
Deltacliquid-2518.88 ± 0.48kcal/molCcrStridh, 1976Corresponding «DELTA»fliquid = -78.97 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-2519.2 ± 0.4kcal/molCcbFraser and Prosen, 1955Corresponding «DELTA»fliquid = -78.69 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid146.72cal/mol*KN/AMesserly, Todd, et al., 1990DH
liquid140.51cal/mol*KN/AMcCullough, Finke, et al., 1957Does not include S0.; DH
Quantity Value Units Method Reference Comment
Deltacsolid-2520.56 ± 0.73kcal/molCcbLoeffler and Rossini, 1960Corresponding «DELTA»fsolid = -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
116.12298.15Messerly, Todd, et al., 1990T = 10 to 400 K.; DH
116.85298.15McCullough, Finke, et al., 1957T = 11 to 360 K.; DH

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil547.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil547.KN/AFarchan Laboratories, 1990BS
Tboil557.6KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus279. ± 8.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple277.390KN/AMesserly, Todd, et al., 1990, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.003 K; TRC
Ttriple277.51KN/AMcCullough, Finke, et al., 1957, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple277.30KN/AWaddington, 1951Uncertainty assigned by TRC = 0.15 K; TRC
Ttriple277.45KN/AWaddington, 1951Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Deltavap19.17 ± 0.04kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
14.7476.AStephenson and Malanowski, 1987Based on data from 461. - 558. K. See also Camin, Forziati, et al., 1954.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
461.30 - 557.924.156371837.811-115.859Camin, Forziati, et al., 1954Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
7.2161277.51McCullough, Finke, et al., 1957DH
7.220277.5Messerly, Todd, et al., 1990AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
26.004277.51McCullough, Finke, et al., 1957DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
3.712249.2Messerly, Todd, et al., 1990, 3CAL
26.018277.5

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.0217.7crystaline, IIIcrystaline, IIMesserly, Todd, et al., 1990DH
0.924850249.2crystaline, IIcrystaline, IMesserly, Todd, et al., 1990DH
7.193920277.396crystaline, IliquidMesserly, Todd, et al., 1990DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.712249.2crystaline, IIcrystaline, IMesserly, Todd, et al., 1990DH
25.935277.396crystaline, IliquidMesserly, Todd, et al., 1990DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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: 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

Hydrogen + Cetene = Hexadecane

By formula: H2 + C16H32 = C16H34

Quantity Value Units Method Reference Comment
Deltar-29.60 ± 0.44kcal/molChydRogers and Skanupong, 1974liquid phase; solvent: Hexane

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin MASS SPECTRA OF ORGANIC COMPOUNDS, CSIRO, B.H. KENNETT ET AL
NIST MS number 69727

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [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]

Messerly, Todd, et al., 1990, 2
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 (10 K to 320 K), cis-hex-2-ene (10 K to 330 K), non-1-ene (10 K to 400 K) and hexadec-1-ene (10 K to 400 K), J. Chem. Thermodyn., 1990, 22, 1107-28. [all data]

McCullough, Finke, et al., 1957, 2
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. [all data]

Waddington, 1951
Waddington, G., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, 1951. [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]

Camin, Forziati, et al., 1954
Camin, David L.; Forziati, Alphonse F.; Rossini, Frederick D., Physical Properties of n-Hexadecane, n-Decylcyclopentane, n-Decylcyclohexane, 1-Hexadecene and n-Decylbenzene, J. Phys. Chem., 1954, 58, 5, 440-442, https://doi.org/10.1021/j150515a015 . [all data]

Messerly, Todd, et al., 1990, 3
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 (10 K to 320 K), cis-hex-2-ene (10 K to 330 K), non-1-ene (10 K to 400 K), and hexadec-1-ene (10 K to 400 K), J. Chem. Thermodyn., 1990, 22, 11, 1107, https://doi.org/10.1016/0021-9614(90)90159-N . [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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References