p-Aminotoluene
- Formula: C7H9N
- Molecular weight: 107.1531
- IUPAC Standard InChIKey: RZXMPPFPUUCRFN-UHFFFAOYSA-N
- CAS Registry Number: 106-49-0
- 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: p-Toluidine; p-Methylaniline; p-Methylbenzenamine; p-Tolylamine; C.I. Azoic coupling component 107; 1-Amino-4-methylbenzene; 4-Aminotoluene; 4-Methylaniline; 4-Methylbenzenamine; 4-Toluidine; Benzenamine, 4-methyl-; 4-Amino-1-methylbenzene; 4-Tolylamine; p-Toluidin; Aniline, p-methyl-; 4-Aminotoluen; Rcra waste number U353; C.I. 37107; Naphtol AS-KG; Naphtol AS-KGLL; NSC 15350
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Phase change data
Go To: Top, 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 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 474. ± 1. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 317. ± 2. | K | AVG | N/A | Average of 25 out of 26 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 667.15 | K | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 23.8114 | bar | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 2.0265 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 57.8 ± 0.3 | kJ/mol | GS | Emel'yanenk and Verevkin, 2005 | Based on data from 319. to 345. K.; AC |
ΔvapH° | 43.18 | kJ/mol | C | Glaser and Ruland, 1957 | ALS |
ΔvapH° | 62.1 | kJ/mol | N/A | Glaser and Rüland, 1957 | Based on data from 474. to 641. K. See also Emel'yanenk and Verevkin, 2005.; AC |
ΔvapH° | 55.9 | kJ/mol | EB | Berliner and May, 1927 | Based on data from 313. to 473. K. See also Emel'yanenk and Verevkin, 2005.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 76.2 ± 0.3 | kJ/mol | GS | Emel'yanenk and Verevkin, 2005 | Based on data from 284. to 313. K.; AC |
ΔsubH° | 78.8 ± 0.5 | kJ/mol | N/A | Chao, Gadalla, et al., 1990 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
51.1 | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 474. K.; AC |
54.9 | 330. | N/A | Stull, 1947 | Based on data from 315. to 473. 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 |
---|---|---|---|---|---|
315. to 473.6 | 4.71884 | 1961.716 | -57.00 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
17.300 | 316.55 | Meva'a and Lichanot, 1990 | DH |
17.19 | 317. | Censký, Lipovská, et al., 2001 | AC |
17.89 | 316.5 | Acree, 1991 | AC |
17.3 | 316.6 | Meva'a and Lichanot, 1990 | AC |
18.9 | 316.9 | Rastogi, Nigam, et al., 1963 | AC |
17.28 | 315.6 | Eykman, 1889 | AC |
17.280 | 315.6 | Eykman, 1889, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
55. | 316.55 | Meva'a and Lichanot, 1990 | DH |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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-8703 |
NIST MS number | 228036 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Glaser and Ruland, 1957
Glaser, F.; Ruland, H.,
Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen,
Chem. Ing. Techn., 1957, 29, 772. [all data]
Emel'yanenk and Verevkin, 2005
Emel'yanenk, Vladimir N.; Verevkin, Sergey P.,
Enthalpies of Formation and Substituent Effects of o rtho -, m eta- , and p ara -Aminotoluenes from Thermochemical Measurements and from Ab Initio Calculations,
J. Phys. Chem. A, 2005, 109, 17, 3960-3966, https://doi.org/10.1021/jp045450i
. [all data]
Glaser and Rüland, 1957
Glaser, Fritz; Rüland, Heinz,
Untersuchungen über Dampfdruckkurven und kritische Daten einiger technisch wichtiger organischer Substanzen,
Chemie Ing. Techn., 1957, 29, 12, 772-775, https://doi.org/10.1002/cite.330291204
. [all data]
Berliner and May, 1927
Berliner, J.F.T.; May, Orville E.,
STUDIES IN VAPOR PRESSURE. III. THE TOLUIDINES,
J. Am. Chem. Soc., 1927, 49, 4, 1007-1011, https://doi.org/10.1021/ja01403a017
. [all data]
Chao, Gadalla, et al., 1990
Chao, J.; Gadalla, N.A.M.; Gammon, B.E.; Marsh, K.N.; Rodgers, A.S.; Somayajulu, G.R.; Wilhoit, R.C.,
Thermodynamic and Thermophysical Properties of Organic Nitrogen Compounds. Part I. Methanamine, Ethanamine, 1- and 2-Propanamine, Benzenamine, 2-, 3-, and 4-Methylbenzenamine,
J. Phys. Chem. Ref. Data, 1990, 19, 6, 1547, https://doi.org/10.1063/1.555849
. [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]
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]
Meva'a and Lichanot, 1990
Meva'a, L.M.; Lichanot, A.,
Proprietes thermodynamiques en phase condensee des ortho, meta et para fluorotoluene, cresol et toluidine,
Thermochim. Acta, 1990, 158, 335-345. [all data]
Censký, Lipovská, et al., 2001
Censký, M.; Lipovská, M.; Schmidt, H.-G.; Ruzicka, V.; Wolf, G.,
Journal of Thermal Analysis and Calorimetry, 2001, 63, 3, 879-899, https://doi.org/10.1023/A:1010125128496
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Rastogi, Nigam, et al., 1963
Rastogi, R.P.; Nigam, R.K.; Sharma, R.N.; Girdhar, H.L.,
Entropy of Fusion of Molecular Complexes,
J. Chem. Phys., 1963, 39, 11, 3042, https://doi.org/10.1063/1.1734140
. [all data]
Eykman, 1889
Eykman, J.F.,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1889, 4, 497. [all data]
Eykman, 1889, 2
Eykman, J.F.,
Zur kryoskopischen Molekulargewichtsbestimmung,
Z. Physik. Chem., 1889, 4, 497-519. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation 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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