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Heptanal

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-264. ± 4.2kJ/molCcbNicholson, 1960Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
gas461.5 ± 4.2J/mol*KN/AChermin, 1961GT

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-312. ± 4.kJ/molCcbNicholson, 1960Heat of formation derived by Cox and Pilcher, 1970; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4444. ± 4.kJ/molCcbNicholson, 1960Heat of formation derived by Cox and Pilcher, 1970; Corresponding «DELTA»fliquid = -312. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid335.4J/mol*KN/AD'yakova and Vasil'ev, 1982DH
liquid348.5J/mol*KN/AParks, Kennedy, et al., 1956Extrapolation below 80 K, 56.69 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
230.78298.15D'yakova and Vasil'ev, 1982Calculated from general equation: Cp(J/mol*K) = (112.44.2) - (59.943.46)x10-2T(K) + (10.930.74)x10-4T2 + (20.660.57)xnc (number of carbon atoms) + (2.650.19)x10-2Tnc.; DH
250.33298.15Parks, Kennedy, et al., 1956T = 80 to 300 K.; DH
204.6298.von Reis, 1881T = 298 to 450 K.; DH

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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil427. ± 3.KAVGN/AAverage of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus227. ± 10.KAVGN/AAverage of 5 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple229.20KN/AVasil'ev and Petrov, 1984Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple229.8KN/AParks, Kennedy, et al., 1956, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc616.7KN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.6 K; by sealed ampule method; TRC
Tc161.8KN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.4 K; by a flow method; TRC
Quantity Value Units Method Reference Comment
Pc31.60barN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.25 bar; by the flow method; TRC
Quantity Value Units Method Reference Comment
rhoc2.30mol/lN/AGude and Teja, 1994Uncertainty assigned by TRC = 0.04 mol/l; by the sealed ampule method; TRC
Quantity Value Units Method Reference Comment
Deltavap48.7kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 313. - 353. K.; AC
Deltavap47.3 ± 0.1kJ/molN/AD'yakova, Korichev, et al., 1981AC
Deltavap48. ± 1.kJ/molVNicholson, 1960Heat of formation derived by Cox and Pilcher, 1970; ALS
Deltavap48.0kJ/molN/ANicholson, 1960DRB
Deltavap48.0 ± 1.3kJ/molEBTurvey, Evans, et al., 1960See also Verevkin, Krasnykh, et al., 2003.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
332.80.040Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
62.0300.Stull, 1947Based on data from 285. - 428. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
285. - 428.2.60077686.453-161.333Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
22.89229.3D'yakova and Vasil'ev, 1980AC
23.585229.8Parks, Kennedy, et al., 1956DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
102.63229.8Parks, Kennedy, et al., 1956DH

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

Additional Data

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Owner COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 5731
Date 1964/04/20
State SOLUTION (10% CCl4 FOR 3800-1350, 10% CS2 FOR 1350-450 CM-1)
Instrument DOW KBr FOREPRISM-GRATING
Instrument parameters BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON
Path length 0.011 CM, 0.011 CM
SPECTRAL CONTAMINATION DUE TO CS2 AROUND 850 AND CCl4 AROUND 1550 CM-1 HAVE BEEN SUBTRACTED
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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
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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 NIST Mass Spectrometry Data Center
NIST MS number 341312

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.

Nicholson, 1960
Nicholson, G.R., 478. The heats of combustion of butanal and heptanal, J. Chem. Soc., 1960, 2377-2378. [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]

Chermin, 1961
Chermin, H.A.G., Thermo data for petrochemicals. Part 27: Gaseous normal aldehydes. The important thermo properties are presented for all the gaseous normal aldehydes from formaldehyde through decaldehyde, Pet. Refin., 1961, 40, 181-184. [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]

Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen., Not In System, 1956, 78, 56-59. [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]

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]

Parks, Kennedy, et al., 1956, 2
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L., Thermal Data on Organic Compounds XXVI. Some Heat Capacity, Entropy and Free Energy Data for Seven Compounds Containing Oxygen, J. Am. Chem. Soc., 1956, 78, 56-9. [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]

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]

Turvey, Evans, et al., 1960
Turvey, J.R.; Evans, J.M.; Bhavanandan, V.P.; Wannigama, G.P.; Biddle, P.; Lane, E.S.; Willans, J.L.; Swinbourne, E.S.; Giral, F.; Hahn, L. Rodriguez; Hargreaves, G.B.; Peacock, R.D.; Schoental, R.; Cambie, R.C.; Nicholson, G.R., Notes, J. Chem. Soc., 1960, 2366, https://doi.org/10.1039/jr9600002366 . [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]

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]

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]


Notes

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