Methane, bromotrinitro-
- Formula: CBrN3O6
- Molecular weight: 229.931
- IUPAC Standard InChIKey: KWSSHZBBUQSMKF-UHFFFAOYSA-N
- CAS Registry Number: 560-95-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Bromotrinitromethane; Bromopicrin
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 94.6 | kJ/mol | Ccb | Pepekin and Korsunskii, 1995 |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 48.5 | kJ/mol | Ccb | Pepekin and Korsunskii, 1995 | |
ΔfH°liquid | 13.5 ± 1.0 | kJ/mol | Ccr | Carpenter, Zimmer, et al., 1970 | The HBr is in 225H2O |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 46.0 | kJ/mol | V | Pepekin and Korsunskii, 1995 | ALS |
ΔvapH° | 47.74 | kJ/mol | V | Carpenter, Zimmer, et al., 1970 | The HBr is in 225H2O; ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
47.8 | 326. | A | Stephenson and Malanowski, 1987 | Based on data from 318. to 335. K. See also Baroody, Carpenter, et al., 1970.; AC |
Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+ 218.5 + 11.25 + = + 13 + 1.5
By formula: CBrN3O6 + 218.5H2O + 11.25O2 + C12H14O4 = HBr + 13CO2 + 1.5N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6350.2 ± 1.0 | kJ/mol | Ccr | Carpenter, Zimmer, et al., 1970 | liquid phase; The HBr is in 225H2O |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | J.T.LARKINS, U.S. DEPT. OF COMMERCE, WASHINGTON, D.C., USA |
NIST MS number | 38928 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pepekin and Korsunskii, 1995
Pepekin, V.I.; Korsunskii, B.L.,
Thermochemistry of halopolynitroalkanes,
Dokl. Phys. Chem. (Engl. Transl.), 1995, 340, 14-16, In original 342. [all data]
Carpenter, Zimmer, et al., 1970
Carpenter, G.A.; Zimmer, M.F.; Baroody, E.E.; Robb, R.A.,
Enthalpy of formation of bromotrinitromethane,
J. Chem. Eng. Data, 1970, 15, 553-556. [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]
Baroody, Carpenter, et al., 1970
Baroody, Edward E.; Carpenter, George A.; Zimmer, Martin F.; Robb, Robert A.,
Enthalpy of formation of bromotrinitromethane,
J. Chem. Eng. Data, 1970, 15, 4, 553-556, https://doi.org/10.1021/je60047a037
. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction 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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