Propanamide
- Formula: C3H7NO
- Molecular weight: 73.0938
- IUPAC Standard InChIKey: QLNJFJADRCOGBJ-UHFFFAOYSA-N
- CAS Registry Number: 79-05-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Propionamide; Propionic acid amide; Propionic amide; Amid kyseliny propionove
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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 |
---|---|---|---|---|---|
ΔfH°gas | -258.94 ± 0.66 | kJ/mol | Ccb | Barnes 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 |
---|---|---|---|---|---|
ΔfH°solid | Ccb | Ryskalieva, Abramova, et al., 1993 | uncertain value: -291.37 ± 0.82 kJ/mol | ||
ΔfH°solid | -338.19 ± 0.56 | kJ/mol | Ccb | Barnes and Pilcher, 1975 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2138.21 ± 0.64 | kJ/mol | Ccb | Ryskalieva, Abramova, et al., 1993 | |
ΔcH°solid | -1842.75 ± 0.52 | kJ/mol | Ccb | Barnes 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 |
---|---|---|---|---|---|
Tboil | 486.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 495.4 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.8 K; TRC |
Tboil | 495.35 | K | N/A | Lecat, 1947, 2 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 495.3 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 495.3 | K | N/A | Lecat, 1926 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 352.8 | K | N/A | Davies, Jones, et al., 1959 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 75. ± 4.0 | kJ/mol | TE | Brunetti, Gatta, et al., 2000 | Based on data from 283. to 343. K.; AC |
ΔsubH° | 79.25 ± 0.33 | kJ/mol | V | Barnes and Pilcher, 1975 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
63.9 | 390. | EB | Horstmann, Fischer, et al., 2004 | Based on data from 375. to 476. K.; AC |
60.3 | 353. | N/A | Stull, 1947 | Based 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. | 6.80867 | 3405.01 | 13.882 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
79.1 ± 0.4 | 318. to 346. | GS | Davies, Jones, et al., 1959 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.9 | 352.6 | Abate, Badea, et al., 2008 | AC |
12.9 | 352.6 | Brunetti, Gatta, et al., 2000 | AC |
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) | 876.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 845.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
847.3 ± 5.0 | Witt and Grutzmacher, 1997 | T = 298K; Equilibrium constant determined from ratio of rate constants. Data readjusted to Hunter and Lias, 1998; MM |
844.4 ± 4.9 | Witt and Grutzmacher, 1997 | T = 298K; Equilibrium constant determined from ratio of rate constants. Data readjusted to Hunter and Lias, 1998; MM |
845. ± 10. | Witt and Grutzmacher, 1997 | T = 298K; di-sec-butylether; aniline. Data readjusted to Hunter and Lias, 1998; MM |
845. ± 10. | Witt and Grutzmacher, 1997 | T = 298K; di-sec-butylether; aniline. Data readjusted to Hunter and Lias, 1998; MM |
843.1 ± 4.1 | Witt and Grutzmacher, 1997 | T = T(eff) = 883K; MM |
843.3 ± 3.0 | Witt and Grutzmacher, 1997 | T = 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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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 |
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.
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
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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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon L | 220. | 984. | Jaworski, 1982 | Column length: 1.8 m |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 1822. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-Wax | 1792. | Prososki, Etzel, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1807. | Wong and Bernhard, 1988 | He, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1801. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 1821. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, 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, UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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