1-Hexanethiol

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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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil424.2KN/AWeast and Grasselli, 1989BS
Tboil425.75KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.2 K; TRC
Tboil420.KN/AMann and Purdie, 1935Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus192.66KN/AMorris, Lanum, et al., 1960Uncertainty assigned by TRC = 0.02 K; meas. by Thermodynamics Lab., Bartlesville OK; TRC
Tfus192.12KN/ATeets, 1934Uncertainty assigned by TRC = 0.3 K; TRC
Tfus192.2KN/AEllis and Reid, 1932Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple192.62KN/AFinke, McCullough, et al., 1970Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Δvap11.1kcal/molN/AGood and DePrater, 1966DRB
Δvap10.7 ± 0.05kcal/molN/AGood and DePrater, 1966See also Osborn and Douslin, 1966.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
10.5335.N/ADykyj, Svoboda, et al., 1999Based on data from 320. - 454. K.; AC
10.1367.A,EBStephenson and Malanowski, 1987Based on data from 352. - 468. K. See also Osborn and Douslin, 1966.; 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
353.84 - 467.644.065831454.004-68.196Osborn and Douslin, 1966

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
4.3050192.62Finke, McCullough, et al., 1970, 2DH
4.309192.6Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
22.35192.62Finke, McCullough, et al., 1970, 2DH

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:


References

Go To: Top, Phase change data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Morris, Lanum, et al., 1960
Morris, J.C.; Lanum, W.J.; Helm, R.V.; Haines, W.E.; Cook, G.L.; Ball, J.S., Purification and Properties of Ten Organic Sulfur Compounds, J. Chem. Eng. Data, 1960, 5, 112-6. [all data]

Mann and Purdie, 1935
Mann, F.G.; Purdie, D., The Constitution of Complex Metallic Salts III. The Parachors of Palladium and Mercury in Simple and Complex Compounds, J. Chem. Soc., 1935, 1935, 1549. [all data]

Teets, 1934
Teets, D.E., The Relation of the Melting Point to the Number of Carbon Atoms in a Series of Normal Mercaptans, J. Am. Chem. Soc., 1934, 56, 1143. [all data]

Ellis and Reid, 1932
Ellis, L.M.; Reid, E.E., The Preparation and Properties of A Double Series of Aliphatic Mercaptans, J. Am. Chem. Soc., 1932, 54, 1674. [all data]

Finke, McCullough, et al., 1970
Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Guthrie, G.B.; Douslin, D.R., Chemical thermodynamic properties for 1-alkanethiols, J. Chem. Thermodyn., 1970, 2, 27. [all data]

Good and DePrater, 1966
Good, W.D.; DePrater, B.L., The enthalpies of combustion and formation of the 1-alkanethiols. The methylene increment to the enthalpy of formation, J. Phys. Chem., 1966, 70, 3606-3609. [all data]

Osborn and Douslin, 1966
Osborn, A.G.; Douslin, D.R., Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum., J. Chem. Eng. Data, 1966, 11, 4, 502-509, https://doi.org/10.1021/je60031a014 . [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]

Finke, McCullough, et al., 1970, 2
Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Gutherie, G.B.; Douslin, D.R., Chemical thermodynamic properties for 1-alkanethiols, J. Chem. Thermodyn., 1970, 2, 27-41. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

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