Aniline, N-methyl-
- Formula: C7H9N
- Molecular weight: 107.1531
- IUPAC Standard InChIKey: AFBPFSWMIHJQDM-UHFFFAOYSA-N
- CAS Registry Number: 100-61-8
- 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: (Methylamino)benzene; Benzenamine, N-methyl-; Anilinomethane; Methylphenylamine; N-Methylaniline; N-Methylbenzenamine; N-Methylphenylamine; N-Monomethylaniline; N-Phenylmethylamine; N-Methylaminobenzene; Monomethylaniline; Methylaniline; Benzeneamine, N-methyl-; UN 2294; NSC 3502
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 | 20.1 ± 1.5 | kcal/mol | Cm | Guthrie, Barker, et al., 1993 | |
ΔfH°gas | 20.4 | kcal/mol | Ccb | Vriens and Hill, 1952 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 8.0 ± 1.8 | kcal/mol | Cm | Guthrie, Barker, et al., 1993 | ALS |
ΔfH°liquid | 7.7 | kcal/mol | Ccb | Vriens and Hill, 1952 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -973.5 | kcal/mol | Ccb | Vriens and Hill, 1952 | ALS |
ΔcH°liquid | -974.4 | kcal/mol | Ccb | Garner and Abernethy, 1921 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
49.50 | 298. | Lesbats and Lichanot, 1987 | T = 220 to 325 K.; DH |
55.00 | 290. | Kurnakov and Voskresenskaya, 1936 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 468. ± 3. | K | AVG | N/A | Average of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 216. | K | N/A | Lesbats and Lichanot, 1987 | DH |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 51.3000 | atm | N/A | Herz and Neukirch, 1923 | Uncertainty assigned by TRC = 0.6999 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 12.1 ± 1.0 | kcal/mol | E | Guthrie, Barker, et al., 1993 | ALS |
ΔvapH° | 12.1 | kcal/mol | N/A | Guthrie, Barker, et al., 1993 | DRB |
ΔvapH° | 12.7 | kcal/mol | V | Vriens and Hill, 1952 | ALS |
ΔvapH° | 12.8 | kcal/mol | N/A | Vriens and Hill, 1952 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.8 | 324. | A | Stephenson and Malanowski, 1987 | Based on data from 309. to 469. K.; AC |
10.84 | 466.6 | V | Mathews and Fehlandt, 1931 | ALS |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
323. to 472.76 | 4.98838 | 2226.576 | -22.456 | Nelson and Wales, 1925 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Guthrie, Barker, et al., 1993
Guthrie, J.P.; Barker, J.; Cullimore, P.A.; Lu, J.; Pike, D.C.,
The tetrahedral intermediate from the hydration of N-methylformanilide,
Can. J. Chem., 1993, 71, 2111-2122. [all data]
Vriens and Hill, 1952
Vriens, G.N.; Hill, A.G.,
Equilibria of several reactions of aromatic amines,
Ind. Eng. Chem., 1952, 44, 2732-27. [all data]
Garner and Abernethy, 1921
Garner, W.E.; Abernethy, C.L.,
Heats of combustion and formation of nitro-compounds. Part I. - Benzene, toluene, phenol and methylaniline series,
Proc. Roy. Soc. London A, 1921, 213-235. [all data]
Lesbats and Lichanot, 1987
Lesbats, C.; Lichanot, A.,
Capacites calorifiques de durcisseurs amines et resines epoxydes,
Thermochim. Acta, 1987, 109, 317-329. [all data]
Kurnakov and Voskresenskaya, 1936
Kurnakov, N.S.; Voskresenskaya, N.K.,
Calorimetry of liquid binary systems, Izv. Akad. Nauk SSSR,
Otdel. Mat. i Estestv. Nauk. Ser. Khim, 1936, 1936, 439-461. [all data]
Herz and Neukirch, 1923
Herz, W.; Neukirch, E.,
On Knowldge of the Critical State,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1923, 104, 433-50. [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]
Mathews and Fehlandt, 1931
Mathews, J.H.; Fehlandt, P.R.,
The heats of vaporization of some organic compounds,
J. Am. Chem. Soc., 1931, 53, 3212-32. [all data]
Nelson and Wales, 1925
Nelson, O.A.; Wales, H.,
Vapor Pressures and Boiling Points of Mono- and Dimthylanilines and Mono- and Diethylanilines,
J. Am. Chem. Soc., 1925, 47, 3, 867-872, https://doi.org/10.1021/ja01680a040
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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