Anthracene, 1,2-dihydro-
- Formula: C14H12
- Molecular weight: 180.2451
- IUPAC Standard InChI: InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-3,5-7,9-10H,4,8H2
- IUPAC Standard InChIKey: SSDCYRGPZNHDOL-UHFFFAOYSA-N
- CAS Registry Number: 58746-82-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,2-Dihydroanthracene
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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.51 | 50. | Dorofeeva O.V., 1988 | Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986]). These functions are reproduced in the reference book [ Frenkel M., 1994]. |
| 15.82 | 100. | ||
| 22.23 | 150. | ||
| 29.587 | 200. | ||
| 41.558 | 273.15 | ||
| 45.77 ± 0.60 | 298.15 | ||
| 46.083 | 300. | ||
| 62.180 | 400. | ||
| 75.896 | 500. | ||
| 87.029 | 600. | ||
| 96.035 | 700. | ||
| 103.40 | 800. | ||
| 109.51 | 900. | ||
| 114.61 | 1000. | ||
| 118.92 | 1100. | ||
| 122.57 | 1200. | ||
| 125.68 | 1300. | ||
| 128.35 | 1400. | ||
| 130.65 | 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 | 162628 |
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 | OV-1 | 150. | 1700. | Brooks, Cole, et al., 1982 | Helium or Nitrogen, Gas-Chrom Q (100-120 mesh); Column length: 1.8 m; Column diameter: 0.25 mm |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 287.50 | Cheng, Liu, et al., 2005 | 30. m/0.30 mm/0.25 μm, He; Program: 50 0C (2 min) 8 0C/min -> 120 0C (3 min) 10 0C/min -> 230 0C |
References
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dorofeeva O.V., 1988
Dorofeeva O.V.,
Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [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]
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]
Brooks, Cole, et al., 1982
Brooks, C.J.W.; Cole, W.J.; Borthwick, J.H.; Brown, G.M.,
Characterization of Dihydroarenediols and Related Compounds by Gas Chromatography-Mass Spectrometry: Comparison of Derivatives,
J. Chromatogr., 1982, 239, 191-216, https://doi.org/10.1016/S0021-9673(00)81980-9
. [all data]
Cheng, Liu, et al., 2005
Cheng, D.-X.; Liu, B.-X.; Sun, Y.-A.; Xie, B.; Zhang, H.-L.,
rapid analysis of pyrolysis products of cholesterol by GC-MS assited with boiling point - Lee retention index,
journal of Instrumental Analysis - Fenxi ceshi xuebao, 2005, 24, 6, 85-88. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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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