Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

1,3,5-Trinitrobenzene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus394.2KN/AHwang, Tamura, et al., 1990Uncertainty assigned by TRC = 0.1 K; TRC
Tfus398.4KN/ARadomska and Radomski, 1980Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Tfus396.15KN/AWaclawek and Hurwic, 1967Uncertainty assigned by TRC = 1. K; TRC
Tfus397.7KN/AJones and Neuworth, 1944Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltasub107.3 ± 0.6kJ/molMECundall, Frank Palmer, et al., 1978Based on data from 313. - 395. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
70.3490.AStephenson and Malanowski, 1987Based on data from 475. - 585. K. See also Maksimov, 1968 and Dykyj, 1972.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
14.81380.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
5.13370.Domalski and Hearing, 1996CAL
38.95380.3

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
15.000398.4crystaline, IliquidRadomska and Radomski, 1980, 2DH
1.900370.crystaline, IIcrystaline, IRadomska and Radomski, 1980, 2DH
14.800380.3crystaline, IliquidRadomska and Radomski, 1980, 2DH
13.200383.0crystaline, IliquidRadomska and Radomski, 1980, 2Metastable modification III.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
37.7398.4crystaline, IliquidRadomska and Radomski, 1980, 2DH
5.13370.crystaline, IIcrystaline, IRadomska and Radomski, 1980, 2DH
38.9380.3crystaline, IliquidRadomska and Radomski, 1980, 2DH
34.5383.0crystaline, IliquidRadomska and Radomski, 1980, 2Metastable; DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

Go To: Top, Phase change data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hwang, Tamura, et al., 1990
Hwang, D.-R.; Tamura, M.; Yoshida, T.; Tanaka, N.; Hosoya, F., Estimation of «DELTA»H°f of nitro derivatives of benzene and toluene using AM1 and DSC, J. Energ. Mater., 1990, 8, 85-98. [all data]

Radomska and Radomski, 1980
Radomska, M.; Radomski, R., Calorimetric Studies of Binary Systems of 1,3,5-Trinitrobenzene with Naphthalene, Anthracene, and Carbazole I. Phase Transitions and Heat Capacities of the Pure COmponents and Charge Transfer Complex, Thermochim. Acta, 1980, 40, 405-14. [all data]

Waclawek and Hurwic, 1967
Waclawek, Z.; Hurwic, J., Dipole moment and spectroscopic studies of the 1,3,5-trinitrobenzene complexes with some pyridine derivatives in nonpolar solvents, Rocz. Chem., 1967, 41, 1993. [all data]

Jones and Neuworth, 1944
Jones, R.C.; Neuworth, M.B., The Ultraviolet Absorption Spectra of Hydrocarbon-Trinitrobenzene Complexes, J. Am. Chem. Soc., 1944, 66, 1497. [all data]

Cundall, Frank Palmer, et al., 1978
Cundall, Robert B.; Frank Palmer, T.; Wood, Colin E.C., Vapour pressure measurements on some organic high explosives, J. Chem. Soc., Faraday Trans. 1, 1978, 74, 0, 1339, https://doi.org/10.1039/f19787401339 . [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, 1968
Maksimov, Y.Y., Russ. J. Phys. Chem., 1968, 42, 11, 1550. [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Radomska and Radomski, 1980, 2
Radomska, M.; Radomski, R., Calorimetric studies of binary systems of 1,3,5-trinitrobenzene with naphthalene, anthracene, and carbazole. I. Phase transitions and heat capacities of the pure components and charge-transfer complexes, Thermochim. Acta, 1980, 40, 405-414. [all data]


Notes

Go To: Top, Phase change data, References