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Propanamide

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-61.89 ± 0.16kcal/molCcbBarnes and Pilcher, 1975 

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid  CcbRyskalieva, Abramova, et al., 1993uncertain value: -69.64 ± 0.20 kcal/mol
Deltafsolid-80.83 ± 0.13kcal/molCcbBarnes and Pilcher, 1975 
Quantity Value Units Method Reference Comment
Deltacsolid-511.04 ± 0.15kcal/molCcbRyskalieva, Abramova, et al., 1993 
Deltacsolid-440.43 ± 0.12kcal/molCcbBarnes and Pilcher, 1975 

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
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
Tboil486.2KN/AWeast and Grasselli, 1989BS
Tboil495.4KN/ALecat, 1947Uncertainty assigned by TRC = 0.8 K; TRC
Tboil495.35KN/ALecat, 1947, 2Uncertainty assigned by TRC = 1.5 K; TRC
Tboil495.3KN/ALecat, 1927Uncertainty assigned by TRC = 0.5 K; TRC
Tboil495.3KN/ALecat, 1926Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus352.8KN/ADavies, Jones, et al., 1959Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Deltasub18. ± 0.96kcal/molTEBrunetti, Gatta, et al., 2000Based on data from 283. - 343. K.; AC
Deltasub18.94 ± 0.079kcal/molVBarnes and Pilcher, 1975ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.3390.EBHorstmann, Fischer, et al., 2004Based on data from 375. - 476. K.; AC
14.4353.N/AStull, 1947Based on data from 338. - 486. 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
338. - 486.6.802963405.0113.882Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
18.9 ± 0.1318. - 346.GSDavies, Jones, et al., 1959AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.08352.6Abate, Badea, et al., 2008AC
3.08352.6Brunetti, Gatta, et al., 2000AC

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:


Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)

View reactions leading to C3H7NO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)209.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity202.0kcal/molN/AHunter and Lias, 1998HL

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
202.5 ± 1.2Witt and Grutzmacher, 1997T = 298K; Equilibrium constant determined from ratio of rate constants. Data readjusted to Hunter and Lias, 1998; MM
201.8 ± 1.2Witt and Grutzmacher, 1997T = 298K; Equilibrium constant determined from ratio of rate constants. Data readjusted to Hunter and Lias, 1998; MM
201.8 ± 2.4Witt and Grutzmacher, 1997T = 298K; di-sec-butylether; aniline. Data readjusted to Hunter and Lias, 1998; MM
201.8 ± 2.4Witt and Grutzmacher, 1997T = 298K; di-sec-butylether; aniline. Data readjusted to Hunter and Lias, 1998; MM
201.5 ± 0.98Witt and Grutzmacher, 1997T = T(eff) = 883K; MM
201.6 ± 0.72Witt and Grutzmacher, 1997T = T(eff) = 354K; MM

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: 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 COBLENTZ SOC.
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. 05755
Date 1964/01/13
State SOLID (SPLIT MULL)
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
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)

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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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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-4971
NIST MS number 228419

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, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, 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 Johnson, 1966
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. 19952
Instrument Unicam SP 500
Melting point 78-79

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, 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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L220.984.Jaworski, 1982Column length: 1.8 m

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryFFAP1822.Yasuhara, 198750. m/0.25 mm/0.25 «mu»m, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryRTX-Wax1792.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 «mu»m, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryDB-Wax1807.Wong and Bernhard, 1988He, 70. C @ 8. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 160. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax1801.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax1821.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

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

Barnes and Pilcher, 1975
Barnes, D.S.; Pilcher, G., Enthalpies of combustion of ethanamide, propanamide, and butanamide, J. Chem. Thermodyn., 1975, 7, 377-382. [all data]

Ryskalieva, Abramova, et al., 1993
Ryskalieva, A.K.; Abramova, G.V.; Pinchuk, M.V.; Erksov, R.S., Enthalpy of combustion and forming of propionamide and its compounds with nitric acid, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1993, 36, 20-22. [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]

Lecat, 1947
Lecat, M., Orthobaric Azeotropes of Sulfides, Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]

Lecat, 1947, 2
Lecat, M., Some azeotropes of which one constituant is heterocyclic nitrogen, Ann. Soc. Sci. Bruxelles, Ser. 1, 1947, 61, 73. [all data]

Lecat, 1927
Lecat, M., New binary azeotropes: 6th list, Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]

Lecat, 1926
Lecat, M., New binary azeotropes: 3rd list, Ann. Soc. Sci. Bruxelles, Ser. B, 1926, 45, 284-94. [all data]

Davies, Jones, et al., 1959
Davies, M.; Jones, A.H.; Thomas, G.H., The lattice energies of the straight-chain primary amides, Trans. Faraday Soc., 1959, 55, 1100. [all data]

Brunetti, Gatta, et al., 2000
Brunetti, Bruno; Gatta, Giuseppe Della; Piacente, Vincenzo, Enthalpies and Entropies of Sublimation of Some Primary Alkylamides, J. Chem. Eng. Data, 2000, 45, 2, 237-241, https://doi.org/10.1021/je9902701 . [all data]

Horstmann, Fischer, et al., 2004
Horstmann, Sven; Fischer, Kai; Gmehling, Jürgen, Vapor-Liquid-Liquid Equilibria, Azeotropic, and Excess Enthalpy Data for the Binary System n -Undecane + Propionamide and Pure-Component Vapor Pressure and Density Data for Propionamide «8224», J. Chem. Eng. Data, 2004, 49, 6, 1494-1498, https://doi.org/10.1021/je034255e . [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]

Abate, Badea, et al., 2008
Abate, Lorenzo; Badea, Elena; Blanco, Ignazio; Della Gatta, Giuseppe, Heat Capacities and Enthalpies of Solid-Solid Transitions and Fusion of a Series of Eleven Primary Alkylamides by Differential Scanning Calorimetry, J. Chem. Eng. Data, 2008, 53, 4, 959-965, https://doi.org/10.1021/je700662a . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Witt and Grutzmacher, 1997
Witt, M.; Grutzmacher, H.F., The gas phase basicity and proton affinity of propionamide: a comparison of methods, Int. J. Mass Spectrom. Ion. Processes, 1997, 164, 93. [all data]

Johnson, 1966
Johnson, E.A., UV atlas of organic compouds, 1966, 1, B10/1. [all data]

Jaworski, 1982
Jaworski, M., Wybrane przyklady stosowania systemu indeksów retencji, Przem. Chem., 1982, 61, 9, 334-338. [all data]

Yasuhara, 1987
Yasuhara, A., Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X . [all data]

Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A., Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder, J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7 . [all data]

Wong and Bernhard, 1988
Wong, J.M.; Bernhard, R.A., Effect of nitrogen source on pyrazine formation, J. Agric. Food Chem., 1988, 36, 1, 123-129, https://doi.org/10.1021/jf00079a032 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References