Acetamide, N-methyl-
- Formula: C3H7NO
- Molecular weight: 73.0938
- IUPAC Standard InChIKey: OHLUUHNLEMFGTQ-UHFFFAOYSA-N
- CAS Registry Number: 79-16-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Methylacetamide; Monomethylacetamide; N-Methylacetamide; CH3CONHCH3; Acetylmethylamine; N-Acetyl-N-methylamine; X 44
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Gas phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -248.0 ± 5.5 | kJ/mol | Ccb | Roux, Jimenez, et al., 1996 |
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 | 478.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 303.43 | K | N/A | Casteel and Amis, 1974 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 302.90 | K | N/A | Boje and Hvidt, 1971 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 303.67 | K | N/A | Bonner and Kim, 1970 | Uncertainty assigned by TRC = 0.15 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 70.8 ± 2.0 | kJ/mol | V | Roux, Jimenez, et al., 1996 | ALS |
ΔsubH° | 70.8 ± 2.0 | kJ/mol | N/A | Roux, Jimenez, et al., 1996 | AC |
ΔsubH° | 69.87 ± 0.31 | kJ/mol | N/A | Starzewski, Wadso, et al., 1984 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
55.5 | 378. | N/A | Schmelzer and Pusch, 1995 | Based on data from 363. to 414. K.; AC |
62. | 368. | N/A | Aucejo, Monton, et al., 1993 | Based on data from 353. to 428. K.; AC |
59.6 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 443. K.; AC |
53.5 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 479. 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 |
---|---|---|---|---|---|
313. to 363. | -0.06922 | 144.114 | -277.873 | Gopal and Rizvi, 1968 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
54.0 | 288. to 303. | Aihara, 1952 | See also Jones, 1960.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.11 | 303.7 | Ahlers, Lohmann, et al., 1999 | AC |
9.73 | 303.8 | Kreis and Wood, 1969 | AC |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 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 |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, 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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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-4322 |
NIST MS number | 230310 |
Gas Chromatography
Go To: Top, Gas 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 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 | SE-30 | 180. | 857. | Krawczyk and Piotrowski, 1989 | N2, Chromosorb W AW; Column length: 1. m |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1623. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | DB-Wax | 1623. | Shiratsuchi, Shimoda, et al., 1994, 2 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 825. | Zenkevich and Chupalov, 1996 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1609. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 1648. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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.
Roux, Jimenez, et al., 1996
Roux, M.V.; Jimenez, P.; Davalos, J.Z.; Castano, O.; Molina, M.T.; Notario, R.; Herreros, M.; Abboud, J.-L.M.,
The first direct experimental determination of strain in neutral and protonated 2-azetidinone,
J. Am. Chem. Soc., 1996, 118, 12735-12737. [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]
Casteel and Amis, 1974
Casteel, J.F.; Amis, E.S.,
Conductance of Sodium Perchlorate in Water-N-Methylacetamide (NMA) Solvent System,
J. Chem. Eng. Data, 1974, 19, 121. [all data]
Boje and Hvidt, 1971
Boje, L.; Hvidt, A.,
Densities of aqueous mixtures of non-electrolytes,
J. Chem. Thermodyn., 1971, 3, 663. [all data]
Bonner and Kim, 1970
Bonner, O.D.; Kim, S.J.,
Intermolecular Association in Structured Liquids 1. Ethylene Carbonate and N-Methylacetamide,
J. Chem. Thermodyn., 1970, 2, 63. [all data]
Starzewski, Wadso, et al., 1984
Starzewski, P.; Wadso, I.; Zielenkiewicz, W.,
Enthalpies of vaporization of some N-alkylamides at 298.15 K,
J. Chem. Thermodyn., 1984, 16, 331-334. [all data]
Schmelzer and Pusch, 1995
Schmelzer, Jürgen; Pusch, Jens,
Phase equilibria in binary systems containing N-monosubstituted amides and hydrocarbons,
Fluid Phase Equilibria, 1995, 110, 1-2, 183-196, https://doi.org/10.1016/0378-3812(95)02753-2
. [all data]
Aucejo, Monton, et al., 1993
Aucejo, Antonio; Monton, Juan B.; Munoz, Rosa; Sanchotello, Margarita,
Isobaric vapor-liquid equilibrium data for the cyclohexanone + N-methylacetamide system,
J. Chem. Eng. Data, 1993, 38, 1, 160-162, https://doi.org/10.1021/je00009a039
. [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]
Gopal and Rizvi, 1968
Gopal, R.; Rizvi, S.A.,
Vapour Pressures of Some Mono- and Di-Alkyl Substituted Aliphatic Amides at Different Temperatures,
J. Indian Chem. Soc., 1968, 45, 1, 13-16. [all data]
Aihara, 1952
Aihara, A.,
J. Chem. Soc. Jpn. Pure Chem. Sect., 1952, 73, 855. [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]
Ahlers, Lohmann, et al., 1999
Ahlers, Jens; Lohmann, Jürgen; Gmehling, Jürgen,
Binary Solid-Liquid Equilibria of Organic Systems Containing Different Amides and Sulfolane,
J. Chem. Eng. Data, 1999, 44, 4, 727-730, https://doi.org/10.1021/je9802975
. [all data]
Kreis and Wood, 1969
Kreis, R.W.; Wood, R.H.,
Enthalpy of fusion and cryoscopic constant of N-methylacetamide,
The Journal of Chemical Thermodynamics, 1969, 1, 6, 523-526, https://doi.org/10.1016/0021-9614(69)90012-3
. [all data]
Krawczyk and Piotrowski, 1989
Krawczyk, W.; Piotrowski, G.T.,
Relationships Between Structure and Retention Index for N-Substituted Amides of Aliphatic Acids on a Non-Polar Column,
J. Chromatogr., 1989, 463, 297-304, https://doi.org/10.1016/S0021-9673(01)84484-8
. [all data]
Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Off-flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 6, 1323-1327, https://doi.org/10.1021/jf00042a014
. [all data]
Shiratsuchi, Shimoda, et al., 1994, 2
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Volatile flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028
. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [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, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas 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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