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Octanal

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Gas phase thermochemistry data

Go To: Top, 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

Quantity Value Units Method Reference Comment
Deltafgas-291.9 ± 2.8kJ/molCcrGeiseler and Ratzsch, 1965 

Condensed phase thermochemistry data

Go To: Top, Gas 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 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
Deltacliquid-5100.04kJ/molCcrGeiseler and Ratzsch, 1965Corresponding «DELTA»fliquid = -334.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid365.4J/mol*KN/AD'yakova and Vasil'ev, 1982DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil444.2KN/AWeast and Grasselli, 1989BS
Tboil441.65KN/AGaiffe and Palland, 1962Uncertainty assigned by TRC = 3. K; TRC
Tboil445.15KN/AHarries, 1916Uncertainty assigned by TRC = 3. K; TRC
Tboil441.65KN/ASabatier and Mailhe, 1914Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus247.72KN/AVasil'ev and Petrov, 1984Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tc639.3KN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.3 K; by the sealed ampule method; TRC
Tc638.1KN/ATeja and Rosenthal, 1990Uncertainty assigned by TRC = 0.8 K; TRC
Quantity Value Units Method Reference Comment
Pc29.60barN/ATeja and Rosenthal, 1990Uncertainty assigned by TRC = 0.50 bar; TRC
Quantity Value Units Method Reference Comment
rhoc2.05mol/lN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.03 mol/l; by the sealed ampule method; TRC
Quantity Value Units Method Reference Comment
Deltavap51.0 ± 0.3kJ/molGSVerevkin, Krasnykh, et al., 2003Based on data from 277. - 310. K.; AC
Deltavap53.8kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 313. - 353. K.; AC
Deltavap51.3 ± 0.2kJ/molN/AD'yakova, Korichev, et al., 1981AC
Deltavap43.0 ± 0.2kJ/molVGeiseler and Ratzsch, 1965ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
345.20.027Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
43.4308.AStephenson and Malanowski, 1987Based on data from 293. - 438. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
25.86288.2D'yakova and Vasil'ev, 1980AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
25.860247.72crystaline, IliquidD'yakova and Vasil'ev, 198098.01 mol% purity.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
104.4247.72crystaline, IliquidD'yakova and Vasil'ev, 198098.01; DH

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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

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Download spectrum in JCAMP-DX format.

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 NIST Mass Spectrometry Data Center
Source reference No.20675 (NIST/EPA/NIH MS Database)
State gas
Instrument HP-GC/MS/IRD

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, 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
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
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Additional Data

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

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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-2944
NIST MS number 230512

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, 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.

Geiseler and Ratzsch, 1965
Geiseler, V.G.; Ratzsch, M., Bildungsenthalpien stellungsisomerer n-Alkanderivate. 1. Mitteilung: Bildungsenthalpien des Octanals und der drei isomeren Octanone, Ber. Bunsen-Ges. Phys. Chem., 1965, 69, 485-488. [all data]

D'yakova and Vasil'ev, 1982
D'yakova, G.N.; Vasil'ev, I.A., Thermodynamic properties of aliphatic aldehydes, 1982, Termodin. [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]

Gaiffe and Palland, 1962
Gaiffe, A.; Palland, R., C. R. Hebd. Seances Acad. Sci., 1962, 254, 3099. [all data]

Harries, 1916
Harries, C.D., Ozone and Its Action on Organic Compound, 1916. [all data]

Sabatier and Mailhe, 1914
Sabatier, P.; Mailhe, A., C. R. Hebd. Seances Acad. Sci., 1914, 158, 985. [all data]

Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M., Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]

Gude and Teja, 1994
Gude, M.T.; Teja, A.S., The Critical Properties of Several n-Alkanals, Tetralin and NMP, Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Series No. 2, p.174-83. [all data]

Teja and Rosenthal, 1990
Teja, A.S.; Rosenthal, D.J., The Critical Pressures and Temperatures of Twelve Substances Using A Low Residence Time Flow Apparatus, AIChE Symp. Ser., 1990, 86, 279, 133-7. [all data]

Verevkin, Krasnykh, et al., 2003
Verevkin, Sergey P.; Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Koutek, Bohumir; Doubsky, Jan; Heintz, Andreas, Vapor pressures and enthalpies of vaporization of a series of the linear aliphatic aldehydes, Fluid Phase Equilibria, 2003, 206, 1-2, 331-339, https://doi.org/10.1016/S0378-3812(03)00035-9 . [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

D'yakova, Korichev, et al., 1981
D'yakova, G.N.; Korichev, G.L.; Korkhova, A.D.; Vasil'eva, T.F.; Vasil'ev, I.A., Zh. Prikl. Khim. (Leningrad), 1981, 54, 1644. [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]

D'yakova and Vasil'ev, 1980
D'yakova, G.N.; Vasil'ev, I.A., Study of the thermodynamic properties of octanal and decanal, B.S.R. Inst. Neftekhim. Protsessov (Leningrad), 1980, (1), 51. [all data]


Notes

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