Decanal

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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

Quantity Value Units Method Reference Comment
liquid102.7cal/mol*KN/AD'yakova and Vasil'ev, 1982 

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

Quantity Value Units Method Reference Comment
Tboil481.7KN/AWeast and Grasselli, 1989BS
Tboil479.15KN/AFoote and Gelpi, 1943Uncertainty assigned by TRC = 3. K; TRC
Tboil481.65KN/AEscourrou, 1939Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus269.25KN/AVasil'ev and Petrov, 1984Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tc674.0KN/AGude and Teja, 1994Uncertainty assigned by TRC = 2.5 K; by the sealed ampule method; TRC
Tc674.2KN/ATeja and Rosenthal, 1990Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Pc25.66atmN/ATeja and Rosenthal, 1990Uncertainty assigned by TRC = 0.79 atm; TRC
Quantity Value Units Method Reference Comment
ρc1.67mol/lN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.04 mol/l; by the sealed ampule method; TRC
Quantity Value Units Method Reference Comment
Δvap14.2 ± 0.1kcal/molGSVerevkin, Krasnykh, et al., 2003Based on data from 280. to 316. K.; AC
Δvap14.5kcal/molCGCKoutek, Hoskovec, et al., 1996Based on data from 308. to 353. K. See also Ova, Koultek, et al., 2000.; AC
Δvap14.4 ± 0.07kcal/molN/AD'yakova, Korichev, et al., 1981AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
13.7303.AStephenson and Malanowski, 1987Based on data from 288. to 333. K.; AC
13.7308.AStephenson and Malanowski, 1987Based on data from 293. to 358. K.; AC
13.5339.N/AStephenson and Malanowski, 1987Based on data from 324. to 482. K. See also Stull, 1947.; 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
325.1 to 481.75.327132378.316-35.245Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
7.3136269.47D'yakova and Vasil'ev, 198097.10 mol% purity.; DH
7.31268.2D'yakova and Vasil'ev, 1980AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
27.15269.47D'yakova and Vasil'ev, 198097.10; 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:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.618700.MN/AThe data from Table 1 by missing citation was used to redo the regression analysis. The data for acetone in their Table 2 is wrong.

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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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- 922
NIST MS number 228809

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.


UV/Visible 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Cooper and Melville, 1951
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 5564
Instrument Uvispec spectrophotometer
Melting point -5
Boiling point 208.5

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

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]

Foote and Gelpi, 1943
Foote; Gelpi, J. Am. Pharm. Assoc., Sci. Ed., 1943, 32, 145. [all data]

Escourrou, 1939
Escourrou, R., Bull. Soc. Chim. Fr., 1939, 6, 1173. [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]

Koutek, Hoskovec, et al., 1996
Koutek, Bohumir; Hoskovec, Michal; Vrkocov, Pavlína; Konecný, Karel; Feltl, Ladislav; Vrkoc, Jan, Gas chromatographic determination of vapour pressures of pheromone-like compounds III. Aldehydes, Journal of Chromatography A, 1996, 719, 2, 391-400, https://doi.org/10.1016/0021-9673(95)00740-7 . [all data]

Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M., Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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]

Cooper and Melville, 1951
Cooper, H.R.; Melville, H.W., The kinetics of the autoxidation of n-decanal. Part I. The mechanism of reaction, J. Chem. Soc., 1951, 1984-1993. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References