Butanamide
- Formula: C4H9NO
- Molecular weight: 87.1204
- IUPAC Standard InChIKey: DNSISZSEWVHGLH-UHFFFAOYSA-N
- CAS Registry Number: 541-35-5
- 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: Butyramide; n-Butylamide; n-Butyramide; n-C3H7C(O)NH2
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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 | -66.72 ± 0.21 | kcal/mol | Ccb | Barnes and Pilcher, 1975 | |
ΔfH°gas | -66.70 ± 0.43 | kcal/mol | Ccb | Lebedeva and Katin, 1973 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -66.60 kcal/mol |
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 | -87.36 ± 0.18 | kcal/mol | Ccb | Barnes and Pilcher, 1975 | |
ΔfH°solid | -87.0 ± 0.1 | kcal/mol | Ccb | Lebedeva and Katin, 1973 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -596.3 ± 0.2 | kcal/mol | Ccb | Barnes and Pilcher, 1975 | |
ΔcH°solid | -596.6 ± 0.1 | kcal/mol | Ccb | Lebedeva and Katin, 1973 |
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 | 489.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 388.8 | K | N/A | Davies, Jones, et al., 1959 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 20. ± 0.96 | kcal/mol | TE | Brunetti, Gatta, et al., 2000 | Based on data from 288. to 354. K.; AC |
ΔsubH° | 20. ± 0.96 | kcal/mol | TE | Brunetti, Gatta, et al., 2000 | Based on data from 298. to 347. K.; AC |
ΔsubH° | 20.64 ± 0.10 | kcal/mol | V | Barnes and Pilcher, 1975 | ALS |
ΔsubH° | 20.4 ± 0.41 | kcal/mol | ME | Lebedeva and Katin, 1973, 2 | Based on data from 292. to 304. K. See also Pedley and Rylance, 1977.; AC |
ΔsubH° | 20.4 ± 0.4 | kcal/mol | V | Lebedeva and Katin, 1973 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 412. | A | Stephenson and Malanowski, 1987 | Based on data from 397. to 504. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21. | 363. | N/A | Jones, 1960 | Based on data from 353. to 373. K.; AC |
20.7 ± 0.1 | 359. | GS | Davies, Jones, et al., 1959 | Based on data from 336. to 382. K.; AC |
20.8 ± 0.2 | 320. | ME | Davies, Jones, et al., 1959 | Based on data from 298. to 341. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.59 | 387.3 | Abate, Badea, et al., 2008 | AC |
4.59 | 387.3 | 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 compiled by: Michael M. Meot-Ner (Mautner)
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
202. ± 1. | Witt and Grutzmacher, 1997 | pyrrole; aniline. Data readjusted to Hunter and Lias, 1998 |
203. ± 1. | Witt and Grutzmacher, 1997 |
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 | 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. 06324 |
Date | 1964/04/03 |
Name(s) | butyramide |
State | SOLID (SPLIT MULL) SPECTRAL FEATURE AT 1992 CM-1 IS AN ARTIFACT CAUSED BY GRATING CHANGE |
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 |
Melting point | 114 C |
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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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-5048 |
NIST MS number | 230165 |
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
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 1901. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
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), 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]
Lebedeva and Katin, 1973
Lebedeva, N.D.; Katin, Yu.A.,
Enthalpies of formation of monocarboxylic acid amides,
J. Appl. Chem. USSR (Engl. Transl.), 1973, 46, 2131-21. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [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]
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]
Lebedeva and Katin, 1973, 2
Lebedeva, N.D.; Katin, Y.A.,
Russ. J. Appl. Chem., 1973, 46, 2131. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
, Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [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]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [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]
Witt and Grutzmacher, 1997
Witt, M.; Grutzmacher, H.F.,
Proton-bound dimers of aliphatic carboxamides: gas-phase basicity and dissociation energy,
Int. J. Mass Spectrom. Ion Processes, 1997, 165, 49. [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]
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]
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), 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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