- Formula: C7H6N2O4
- Molecular weight: 182.1335
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: RUIFULUFLANOCI-UHFFFAOYSA-N
- CAS Registry Number: 618-85-9
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Toluene, 3,5-dinitro-; 3,5-Dinitrotoluene; 3,5-DNT; 1-Methyl-3,5-dinitrobenzene
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|cH°solid||-3569.||kJ/mol||Ccb||Garner and Abernethy, 1921|
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Method||Reference||Comment|
|62.6||508.||A||Stephenson and Malanowski, 1987||Based on data from 493. - 543. K. See also Maksimov, 1968.; AC|
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
|493. - 543.||3.89901||1765.196||-137.706||Maksimov, 1968, 2||Coefficents calculated by NIST from author's data.|
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|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-IW-6042|
|NIST MS number||242971|
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
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]
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]
Maksimov, Y.Y., Russ. J. Phys. Chem., 1968, 42, 11, 1550. [all data]
Maksimov, 1968, 2
Maksimov, Yu, Steam Pressures of Nitroaromatic Compouds at Different Temperatures, Zh. Fiz. Khim., 1968, 42, 2921-2925. [all data]
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
cH°solid Enthalpy of combustion of solid at standard conditions vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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