hexanitroethane
- Formula: C2N6O12
- Molecular weight: 300.0544
- IUPAC Standard InChI: InChI=1S/C2N6O12/c9-3(10)1(4(11)12,5(13)14)2(6(15)16,7(17)18)8(19)20
- IUPAC Standard InChIKey: CCAKQXWHJIKAST-UHFFFAOYSA-N
- CAS Registry Number: 918-37-6
- Chemical structure:
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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 | 42.8 ± 1.4 | kcal/mol | Ccb | Pepekin, Miroshnichenko, et al., 1968 | Author was aware that data differs from previously reported values; Author's hf298_condensed=20.0±1.0 |
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°solid | 25.9 ± 1.0 | kcal/mol | Ccb | Pepekin, Miroshnichenko, et al., 1968 | Author was aware that data differs from previously reported values; Author's hf298_condensed=20.0±1.0; ALS |
| ΔfH°solid | 28.6 ± 1.9 | kcal/mol | Ccb | Noble, Reed, et al., 1963 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -214.0 ± 1.0 | kcal/mol | Ccb | Pepekin, Miroshnichenko, et al., 1968 | Author was aware that data differs from previously reported values; Author's hf298_condensed=20.0±1.0; ALS |
| ΔcH°solid | -216.7 | kcal/mol | Ccb | Noble, Reed, et al., 1963 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 78.2 | 291. | Krien, Licht, et al., 1970 | crystaline, I phase; T = 190 to 350 K.; 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:
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 |
|---|---|---|---|---|---|
| ΔsubH° | 16.9 | kcal/mol | N/A | Miroshnichenko and Vorob'eva, 1999 | AC |
| ΔsubH° | 16.9 ± 0.4 | kcal/mol | V | Pepekin, Miroshnichenko, et al., 1968 | Author was aware that data differs from previously reported values; Author's hf298_condensed=20.0±1.0; ALS |
| ΔsubH° | 7.2 | kcal/mol | V | Noble, Reed, et al., 1963 | ALS |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 7.27 | 308. | N/A | Stephenson and Malanowski, 1987 | Based on data from 293. to 343. K. See also BORGARDT, GALLAGHAN, et al., 1963.; AC |
| 16.9 ± 0.41 | 303. | ME | Miroshnichenko and Lebedev, 1969 | Based on data from 293. to 313. K. See also Pedley and Rylance, 1977.; AC |
| 16.9 ± 0.41 | 293. to 343. | N/A | Pepekin, Miroshnichenko, et al., 1968, 2 | AC |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 2.9637 | 291. | crystaline, II | crystaline, I | Krien, Licht, et al., 1970 | T = 289 to 292 K; 291 K assumed.; DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 10.2 | 291. | crystaline, II | crystaline, I | Krien, Licht, et al., 1970 | T; DH |
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.
Pepekin, Miroshnichenko, et al., 1968
Pepekin, V.I.; Miroshnichenko, E.A.; Lebedev, Yu.A.; Apin, A.Ya.,
Enthalpy of formation of hexanitroethane,
Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 1583-1584. [all data]
Noble, Reed, et al., 1963
Noble, P., Jr.; Reed, W.I.; Hoffman, C.J.; Gallaghan, J.A.; Borgardt, F.G.,
Physical and Chemical Properties of Hexanitroethane,
AIAA, 1963, 1, 395-397. [all data]
Krien, Licht, et al., 1970
Krien, G.; Licht, H.H.; Trimborn, F.,
A phase transition of hexanitroethane (HNE),
Explosivstoffe, 1970, 9, 203-207. [all data]
Miroshnichenko and Vorob'eva, 1999
Miroshnichenko, E.O.; Vorob'eva, V.P.,
Thermochemical characteristics of nitroalkanes,
Zh. Fiz. Khim., 1999, 73, 3, 419. [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]
BORGARDT, GALLAGHAN, et al., 1963
BORGARDT, F.G.; GALLAGHAN, J.A.; HOFFMAN, C.J.; NOBLE, P.; REED, W.L.,
PHYSICAL AND CHEMICAL PROPERTIES OF HEXANITROETHANE,
AIAA Journal, 1963, 1, 2, 395-397, https://doi.org/10.2514/3.1544
. [all data]
Miroshnichenko and Lebedev, 1969
Miroshnichenko, E.A.; Lebedev, Yu.A.,
Khim. Geterotsikl. Soedin., 1969, 6, 963. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
, Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]
Pepekin, Miroshnichenko, et al., 1968, 2
Pepekin, V.I.; Miroshnichenko, E.A.; Levedev, Y.A.; Apin, A.Y.,
Russ. J. Phys. Chem., 1968, 42, 11, 1583. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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