2-Octanol

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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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
78.90298.5Cline and Andrews, 1931T = 102 to 298 K. Value is unsmoothed experimental datum.

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil453. ± 1.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc632. ± 7.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Pc27.2 ± 0.5atmN/AGude and Teja, 1995 
Pc27.44atmN/AQuadri, Khilar, et al., 1991Uncertainty assigned by TRC = 0.49 atm; TRC
Pc28.62atmN/AAmbrose and Ghiassee, 1990Uncertainty assigned by TRC = 1.97 atm; Calculated from vaper pressure equation at Tc; TRC
Pc26.91atmN/ARosenthal and Teja, 1990Uncertainty assigned by TRC = 0.0002 atm; TRC
Pc26.91atmN/ARosenthal and Teja, 1989Uncertainty assigned by TRC = 0.20 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.519l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
ρc1.93 ± 0.05mol/lN/AGude and Teja, 1995 
ρc1.93mol/lN/AAnselme and Teja, 1988Uncertainty assigned by TRC = 0.05 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap16.2 ± 0.07kcal/molGSVerevkin and Schick, 2007Based on data from 284. to 329. K.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
16.9268.N/AN'Guimbi, Berro, et al., 1999Based on data from 253. to 353. K.; AC
14.5348.AStephenson and Malanowski, 1987Based on data from 333. to 453. K.; AC
13.4382.N/ASachek, Markovnik, et al., 1984Based on data from 367. to 453. K.; AC
14.3360.N/AWilhoit and Zwolinski, 1973Based on data from 345. to 453. K.; 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
283. to 353.6.463242556.946-41.497Geiseler, Fruwert, et al., 1966Coefficents calculated by NIST from author's data.

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

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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: 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

2-Octanol = 2-Octanone + Hydrogen

By formula: C8H18O = C8H16O + H2

Quantity Value Units Method Reference Comment
Δr12.66kcal/molEqkCubberley and Mueller, 1946gas phase

IR Spectrum

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

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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: 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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Due to licensing restrictions, this spectrum cannot be downloaded.

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 Japan AIST/NIMC Database- Spectrum MS-NW-5553
NIST MS number 227927

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References

Go To: Top, 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.

Cline and Andrews, 1931
Cline, J.K.; Andrews, D.H., Thermal energy studies. III. The octanols, J. Am. Chem. Soc., 1931, 53, 3668-3673. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Quadri, Khilar, et al., 1991
Quadri, S.K.; Khilar, K.C.; Kudchadker, A.P.; Patni, M.J., Measurement of the critical temperatures and critical pressures of some thermally stable or mildly unstable alkanols, J. Chem. Thermodyn., 1991, 23, 67-76. [all data]

Ambrose and Ghiassee, 1990
Ambrose, D.; Ghiassee, N.B., Vapor pressures, critical temperatures, and critical pressures of benzyl alcohol, octan-2-ol, and 2-ethylhexan-1-ol, J. Chem. Thermodyn., 1990, 22, 307-11. [all data]

Rosenthal and Teja, 1990
Rosenthal, D.J.; Teja, A.S., The Critical Pressures and temperatures of Isomeric Alkanols, Ind. Eng. Chem. to be published 1990 1990, 1990. [all data]

Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S., Critical pressures and temperatures of isomeric alkanols, Ind. Eng. Chem. Res., 1989, 28, 1693. [all data]

Anselme and Teja, 1988
Anselme, M.J.; Teja, A.S., Critical Temperatures and Densities of Isomeric Alkanols with Six to Ten Carbon Atoms, Fluid Phase Equilib., 1988, 40, 127-34. [all data]

Verevkin and Schick, 2007
Verevkin, Sergey P.; Schick, Christoph, Vapour pressures and heat capacity measurements on the C7--C9 secondary aliphatic alcohols, The Journal of Chemical Thermodynamics, 2007, 39, 5, 758-766, https://doi.org/10.1016/j.jct.2006.10.007 . [all data]

N'Guimbi, Berro, et al., 1999
N'Guimbi, J.; Berro, C.; Mokbel, I.; Rauzy, E.; Jose, J., Experimental vapour pressures of 13 secondary and tertiary alcohols---correlation and prediction by a group contribution method, Fluid Phase Equilibria, 1999, 162, 1-2, 143-158, https://doi.org/10.1016/S0378-3812(99)00168-5 . [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]

Sachek, Markovnik, et al., 1984
Sachek, A.I.; Markovnik, V.S.; Peshchenko, A.D.; Shvaro, A.V.; Andreevskii, D.N., Khim. Prom-st. (Moscow), 1984, 337. [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Geiseler, Fruwert, et al., 1966
Geiseler, Gerhard; Fruwert, Johanna; Hüttig, Rainer, Dampfdruck- und Schwingungsverhalten der stellungsisomeren n-Octanole und hydroxydeuterierten n-Octanole, Chem. Ber., 1966, 99, 5, 1594-1601, https://doi.org/10.1002/cber.19660990525 . [all data]

Cubberley and Mueller, 1946
Cubberley, A.H.; Mueller, M.B., Equilibrium studies on the dehydrogenation of primary and secondary alcohols. I. 2-Butanol, 2-octanol, cyclopentanol and benzyl alcohol, J. Am. Chem. Soc., 1946, 68, 1149-1151. [all data]


Notes

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