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
Δfgas-258.94 ± 0.66kJ/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
Δsub75. ± 4.0kJ/molTEBrunetti, Gatta, et al., 2000Based on data from 283. to 343. K.; AC
Δsub79.25 ± 0.33kJ/molVBarnes and Pilcher, 1975ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
63.9390.EBHorstmann, Fischer, et al., 2004Based on data from 375. to 476. K.; AC
60.3353.N/AStull, 1947Based on data from 338. to 486. 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
338. to 486.6.808673405.0113.882Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
79.1 ± 0.4318. to 346.GSDavies, Jones, et al., 1959AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
12.9352.6Abate, Badea, et al., 2008AC
12.9352.6Brunetti, 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)876.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity845.3kJ/molN/AHunter and Lias, 1998HL

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
847.3 ± 5.0Witt and Grutzmacher, 1997T = 298K; Equilibrium constant determined from ratio of rate constants. Data readjusted to Hunter and Lias, 1998; MM
844.4 ± 4.9Witt and Grutzmacher, 1997T = 298K; Equilibrium constant determined from ratio of rate constants. Data readjusted to Hunter and Lias, 1998; MM
845. ± 10.Witt and Grutzmacher, 1997T = 298K; di-sec-butylether; aniline. Data readjusted to Hunter and Lias, 1998; MM
845. ± 10.Witt and Grutzmacher, 1997T = 298K; di-sec-butylether; aniline. Data readjusted to Hunter and Lias, 1998; MM
843.1 ± 4.1Witt and Grutzmacher, 1997T = T(eff) = 883K; MM
843.3 ± 3.0Witt 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.


Gas Chromatography

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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

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 μm, 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 μm, 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

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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]

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]

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, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References