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1-Octanol

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Gas 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-85. ± 1.kcal/molAVGN/AAverage of 6 values; Individual data points

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-102.0 ± 0.1kcal/molCcbMosselman and Dekker, 1975ALS
Deltafliquid-102.30 ± 0.26kcal/molCcbGundry, Harrop, et al., 1969Heat of formation derived by Cox and Pilcher, 1970; ALS
Deltafliquid-101.62 ± 0.27kcal/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Deltafliquid-103.96 ± 0.64kcal/molCcbGreen, 1960ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1265.3 ± 0.1kcal/molCcbMosselman and Dekker, 1975Corresponding «DELTA»fliquid = -102.0 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1265.65 ± 0.24kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -101.59 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1263.31 ± 0.64kcal/molCcbGreen, 1960Corresponding «DELTA»fliquid = -103.93 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1263.3kcal/molCcbVerkade and Coops, 1927Corrected for 298 and 1 atm.; Corresponding «DELTA»fliquid = -103.9 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
72.66298.15Vesely, Barcal, et al., 1989T = 298.15 to 318.15 K.; DH
78.75303.2Naziev, Bashirov, et al., 1986T = 303.2 to 448 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.53 kJ/kg*K.; DH
73.028298.15Zegers and Somsen, 1984DH
76.08310.67Griigo'ev, Yanin, et al., 1979T = 310 to 452 K. p = 0.98 bar.; DH
74.59298.Hutchinson and Bailey, 1959DH
68.00286.0Cline and Andrews, 1931T = 102 to 286 K. Value is unsmoothed experimental datum.; DH
77.51298.von Reis, 1881T = 291 to 470 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil468. ± 1.KAVGN/AAverage of 37 out of 41 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus257. ± 2.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc655. ± 10.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Pc26. ± 8.atmAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.497l/molN/AGude and Teja, 1995 
Quantity Value Units Method Reference Comment
rhoc2.01 ± 0.03mol/lN/AGude and Teja, 1995 
rhoc2.04mol/lN/ATeja, Lee, et al., 1989TRC
rhoc1.97mol/lN/AAnselme and Teja, 1988Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc2.04mol/lN/AEfremov, 1966Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap17.0 ± 0.5kcal/molAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub24.00kcal/molN/ADavies and Kybett, 1965AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
371.20.025Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
16.6303.GSKulikov, Verevkin, et al., 2001Based on data from 282. - 321. K.; AC
16.4318.N/AN'Guimbi, Kasehgari, et al., 1992Based on data from 273. - 363. K.; AC
16.1343.AStephenson and Malanowski, 1987Based on data from 328. - 400. K.; AC
12.5445.AStephenson and Malanowski, 1987Based on data from 430. - 474. K.; AC
13.5412.AStephenson and Malanowski, 1987Based on data from 397. - 479. K.; AC
11.4490.AStephenson and Malanowski, 1987Based on data from 475. - 555. K.; AC
15.3274.A,MEStephenson and Malanowski, 1987Based on data from 267. - 282. K. See also Davies and Kybett, 1965.; AC
16.1358.N/AWilhoit and Zwolinski, 1973Based on data from 343. - 468. K.; AC
15.5367.DTAKemme and Kreps, 1969Based on data from 352. - 468. K.; AC
16.8308.N/AGeiseler, Fruwert, et al., 1966Based on data from 293. - 353. K.; AC
15.3 ± 0.3267.VDavies and Kybett, 1965ALS
14.7380.N/ARose, Papahronis, et al., 1958Based on data from 365. - 427. 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
502.19 - 553.993.958801350.263-129.565Ambrose, Sprake, et al., 1975Coefficents calculated by NIST from author's data.
328.02 - 387.04.803441753.525-99.0Ambrose, Ellender, et al., 1974Coefficents calculated by NIST from author's data.
386.42 - 479.273.897081274.261-141.328Ambrose and Sprake, 1970Coefficents calculated by NIST from author's data.
352.1 - 468.53.742731196.639-149.043Kemme and Kreps, 1969 
293. - 353.6.471112603.359-48.799Geiseler, Fruwert, et al., 1966Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
6.033258.4van Miltenburg, Gabrielová, et al., 2003AC

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 as indicated in comments:
B - John E. Bartmess
ALS - 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

C8H17O- + Hydrogen cation = 1-Octanol

By formula: C8H17O- + H+ = C8H18O

Quantity Value Units Method Reference Comment
Deltar374.3 ± 2.1kcal/molG+TSHiggins and Bartmess, 1998gas phase; B
Deltar373.5 ± 3.0kcal/molCIDCHaas and Harrison, 1993gas phase; Kinetic method gives energy-dependent results.; B
Deltar371.8 ± 2.8kcal/molG+TSBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar367.7 ± 2.0kcal/molIMREHiggins and Bartmess, 1998gas phase; B
Deltar366.9 ± 3.1kcal/molH-TSHaas and Harrison, 1993gas phase; Kinetic method gives energy-dependent results.; B
Deltar365.2 ± 2.7kcal/molCIDCBoand, Houriet, et al., 1983gas phase; value altered from reference due to change in acidity scale; B

1-Octanol + Chloridosulfuric acid = C8H18O4S + Hydrogen chloride

By formula: C8H18O + ClHO3S = C8H18O4S + HCl

Quantity Value Units Method Reference Comment
Deltar13. ± 0.2kcal/molCmMarkitanova, Barsukov, et al., 1981liquid phase; solvent: Dichloromethane; Sulfation; ALS

1-Octanol + sulphur trioxide = C8H18O4S

By formula: C8H18O + O3S = C8H18O4S

Quantity Value Units Method Reference Comment
Deltar22. ± 0.5kcal/molCmMarkitanova, Barsukov, et al., 1981liquid phase; solvent: Dichloromethane; ALS

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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IR 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)

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

View image of digitized spectrum (can be printed in landscape orientation).

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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 Japan AIST/NIMC Database- Spectrum MS-NW- 942
NIST MS number 228852

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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.

Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H., Enthalpies of formation of n-alkan-1-ols, J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]

Gundry, Harrop, et al., 1969
Gundry, H.A.; Harrop, D.; Head, A.J.; Lewis, G.B., Thermodynamic properties of organic oxygen compounds. 21. Enthalpies of combustion of benzoic acid, pentan-1-ol, octan-1-ol, and hexadecan-1-ol, J. Chem. Thermodyn., 1969, 1, 321-332. [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]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Rossini, 1934
Rossini, F.D., Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages, J. Res. NBS, 1934, 13, 189-197. [all data]

Green, 1960
Green, J.H.S., Revision of the values of the heats of formation of normal alcohols, Chem. Ind. (London), 1960, 1215-1216. [all data]

Verkade and Coops, 1927
Verkade, P.E.; Coops, J., Jr., Calorimetric researches XIV. Heats of combustion of successive members of homologous series: the normal primary aliphatic alcohols, Recl. Trav. Chim. Pays-Bas, 1927, 46, 903-917. [all data]

Vesely, Barcal, et al., 1989
Vesely, F.; Barcal, P.; Zabransky, M.; Svoboda, V., Heat capacities of 4-methyl-2-pentanone, 2,6-dimethyl-4-heptanone, 1-hexanol, 1-heptanol, and 1-octanol in the temperature range 298-318 K, Collect. Czech. Chem. Commun., 1989, 54, 602-607. [all data]

Naziev, Bashirov, et al., 1986
Naziev, Ya.M.; Bashirov, M.M.; Badalov, Yu.A., Experimental study of isobaric specific heat of higher alcohols at high pressures, Inzh.-Fiz. Zhur., 1986, 51, 998-1004. [all data]

Zegers and Somsen, 1984
Zegers, H.C.; Somsen, G., Partial molar volumes and heat capacities in (dimethylformamide + an n-alkanol), J. Chem. Thermodynam., 1984, 16, 225-235. [all data]

Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP, 54, 1979, 57-64. [all data]

Hutchinson and Bailey, 1959
Hutchinson, E.; Bailey, L.G., A thermodynamic study of colloidal electrolyte solutions. II. Heat capacities of solubilized systems, experimental, Z. Physik. Chem. [N.G.], 1959, 21, 30-37. [all data]

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]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [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]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [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]

Efremov, 1966
Efremov, Yu.V., Density, Surface Tension, Saturated Vapor Pressurs and Critical Parameters of Alcohols, Zh. Fiz. Khim., 1966, 40, 1240. [all data]

Davies and Kybett, 1965
Davies, M.; Kybett, B., Sublimation and vaporization heats of long-chain alcohols, Trans. Faraday Soc., 1965, 61, 1608. [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]

Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas, Enthalpies of vaporization of a series of aliphatic alcohols, Fluid Phase Equilibria, 2001, 192, 1-2, 187-207, https://doi.org/10.1016/S0378-3812(01)00633-1 . [all data]

N'Guimbi, Kasehgari, et al., 1992
N'Guimbi, J.; Kasehgari, H.; Mokbel, I.; Jose, J., Tensions de vapeur d'alcools primaires dans le domaine 0,3 Pa à 1,5 kPa, Thermochimica Acta, 1992, 196, 2, 367-377, https://doi.org/10.1016/0040-6031(92)80100-B . [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]

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]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [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]

Rose, Papahronis, et al., 1958
Rose, Arthur; Papahronis, B.; Williams, E., Experimental Measurement of Vapor-Liquid Equilibria for Octanol-Decanol and Decanol-Dodecanol Binaries., Ind. Eng. Chem. Chem. Eng. Data Series, 1958, 3, 2, 216-219, https://doi.org/10.1021/i460004a008 . [all data]

Ambrose, Sprake, et al., 1975
Ambrose, D.; Sprake, C.H.S.; Townsend, R., Thermodynamic Properties of Organic Oxygen Compounds. XXXVII. Vapour Pressures of Methanol, Ethanol, Pentan-1-ol, and Octan-1-ol from the Normal Boiling Temperature to the Critical Temperature, J. Chem. Thermodyn., 1975, 7, 2, 185-190, https://doi.org/10.1016/0021-9614(75)90267-0 . [all data]

Ambrose, Ellender, et al., 1974
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXXV. Vapour pressures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1974, 6, 9, 909-914, https://doi.org/10.1016/0021-9614(74)90235-3 . [all data]

Ambrose and Sprake, 1970
Ambrose, D.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds XXV. Vapour pressures and normal boiling temperatures of aliphatic alcohols, The Journal of Chemical Thermodynamics, 1970, 2, 5, 631-645, https://doi.org/10.1016/0021-9614(70)90038-8 . [all data]

van Miltenburg, Gabrielová, et al., 2003
van Miltenburg, J. Cees; Gabrielová, Hana; Ruzicka, Kvetoslav, Heat Capacities and Derived Thermodynamic Functions of 1-Hexanol, 1-Heptanol, 1-Octanol, and 1-Decanol between 5 K and 390 K, J. Chem. Eng. Data, 2003, 48, 5, 1323-1331, https://doi.org/10.1021/je0340856 . [all data]

Higgins and Bartmess, 1998
Higgins, P.R.; Bartmess, J.E., The Gas Phase Acidities of Long Chain Alcohols., Int. J. Mass Spectrom., 1998, 175, 1-2, 71-79, https://doi.org/10.1016/S0168-1176(98)00125-6 . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Boand, Houriet, et al., 1983
Boand, G.; Houriet, R.; Baumann, T., The gas phase acidity of aliphatic alcohols, J. Am. Chem. Soc., 1983, 105, 2203. [all data]

Markitanova, Barsukov, et al., 1981
Markitanova, L.I.; Barsukov, I.I.; Passet, B.V., Determination of heat of sulfation by calorimetric titration, J. Gen. Chem. USSR, 1981, 51, 1286-1289. [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