Acephenanthrylene, 4,5-dihydro-
- Formula: C16H12
- Molecular weight: 204.2665
- IUPAC Standard InChI: InChI=1S/C16H12/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15(14)16(11)13/h1-7,10H,8-9H2
- IUPAC Standard InChIKey: ZBWXZZIIMVVCNZ-UHFFFAOYSA-N
- CAS Registry Number: 6232-48-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 4,5-Dihydroacephenanthrylene
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Gas phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.81 | 50. | Dorofeeva O.V., 1989 | These statistically calculated values were obtained using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986, Moiseeva N.F., 1990]). These functions are reproduced in the reference book [ Frenkel M., 1994]. |
| 16.92 | 100. | ||
| 24.140 | 150. | ||
| 32.450 | 200. | ||
| 45.853 | 273.15 | ||
| 50.53 ± 0.36 | 298.15 | ||
| 50.875 | 300. | ||
| 68.616 | 400. | ||
| 83.592 | 500. | ||
| 95.645 | 600. | ||
| 105.32 | 700. | ||
| 113.18 | 800. | ||
| 119.65 | 900. | ||
| 125.04 | 1000. | ||
| 129.56 | 1100. | ||
| 133.39 | 1200. | ||
| 136.65 | 1300. | ||
| 139.43 | 1400. | ||
| 141.83 | 1500. |
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 | Chemical Concepts |
| NIST MS number | 155188 |
References
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dorofeeva O.V., 1989
Dorofeeva O.V.,
Thermodynamic Properties of Gaseous Polycyclic Aromatic Hydrocarbons Containing Five-Membered Rings. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-263 (in Russian), Moscow, 1989. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons,
Thermochim. Acta, 1986, 102, 59-66. [all data]
Moiseeva N.F., 1990
Moiseeva N.F.,
Group additivity scheme for calculating the chemical thermodynamic properties of gaseous polycyclic aromatic hydrocarbons containing five-membered rings,
Thermochim. Acta, 1990, 168, 179-186. [all data]
Frenkel M., 1994
Frenkel M.,
Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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