Tricyclo[3.3.1.1(3,7)]decane, 1-nitro-
- Formula: C10H15NO2
- Molecular weight: 181.2316
- IUPAC Standard InChI: InChI=1S/C10H15NO2/c12-11(13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
- IUPAC Standard InChIKey: HONLSNLUVRQMEK-UHFFFAOYSA-N
- CAS Registry Number: 7575-82-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Adamantane, 1-nitro-; 1-Nitroadamantane; Tricyclo[3.3.1.13,7]decane, 1-nitro-
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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 | -45.67 ± 0.57 | kcal/mol | Ccb | Fritzsche, Dogan, et al., 1990 |
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 |
|---|---|---|---|---|---|
| ΔsubH° | 15.2 ± 0.24 | kcal/mol | V | Fritzsche, Dogan, et al., 1990 | ALS |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 15.2 ± 0.24 | 339. | T | Fritzsche, Dogan, et al., 1990 | Based on data from 321. to 357. K.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 0.999 | 435.2 | Fritzsche, Dogan, et al., 1990 | Entropy seems low, compound may have lower temperature phase transitions.; AC |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | PMS-1000 | 160. | 1500. | Kurbatova, Moiseev, et al., 1999 | N2, Chromatron N-AW; Column length: 1. m |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fritzsche, Dogan, et al., 1990
Fritzsche, K.; Dogan, B.; Beckhaus, H.D.; Ruechardt, C.,
Geminal substituents effect. Part I. Thermochemistry of 1-nitro-, 2-nitro-, 2,2-dinitro- and 2-cyano-2-nitroadamantane,
Thermochim. Acta, 1990, 160, 147-159. [all data]
Kurbatova, Moiseev, et al., 1999
Kurbatova, S.V.; Moiseev, I.K.; Kudryashov, S.Yu.; Yashkin, S.N.; Postnikova, I.V.,
Chromatographic examination of the intermediate products of midantane synthesis,
J. Anal. Chem. USSR (Engl. Transl.), 1999, 54, 1, 75-77. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion 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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