Phenanthrene, 4-methyl-
- Formula: C15H12
- Molecular weight: 192.2558
- IUPAC Standard InChIKey: LOCGAKKLRVLQAM-UHFFFAOYSA-N
- CAS Registry Number: 832-64-4
- 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-Methylphenanthrene
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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 | 46.80 ± 0.25 | kcal/mol | Ccr | Chirico, Hossenlopp, et al., 1989 | Hfusion=14.04 kJ/mol |
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 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 | 24.48 ± 0.16 | kcal/mol | Ccr | Chirico, Hossenlopp, et al., 1989 | Hfusion=14.04 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1845.14 ± 0.13 | kcal/mol | Ccr | Chirico, Hossenlopp, et al., 1989 | Hfusion=14.04 kJ/mol; Corresponding ΔfHºsolid = 24.479 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 58.449 | cal/mol*K | N/A | Chirico, Hossenlopp, et al., 1989 | DH |
S°solid,1 bar | 58.449 | cal/mol*K | N/A | Chirico, Hossenlopp, et al., 1988 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
62.890 | 298.15 | Chirico, Hossenlopp, et al., 1989 | T = 10 to 500 K. Value is a graphical extrapolation.; DH |
62.890 | 298.15 | Chirico, Hossenlopp, et al., 1988 | T = 10 to 500 K. Value is a graphical extrapolation.; DH |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 324.920 | K | N/A | Chirico, Hossenlopp, et al., 1989, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 22.3 | kcal/mol | N/A | Chirico, Hossenlopp, et al., 1989 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.8 ± 0.05 | 380. | EB,IP | Chirico, Hossenlopp, et al., 1989 | Based on data from 368. to 647. K.; AC |
17.2 ± 0.02 | 420. | EB,IP | Chirico, Hossenlopp, et al., 1989 | Based on data from 368. to 647. K.; AC |
16.5 ± 0.02 | 460. | EB,IP | Chirico, Hossenlopp, et al., 1989 | Based on data from 368. to 647. K.; AC |
15.9 ± 0.02 | 500. | EB,IP | Chirico, Hossenlopp, et al., 1989 | Based on data from 368. to 647. K.; AC |
15.3 ± 0.02 | 540. | EB,IP | Chirico, Hossenlopp, et al., 1989 | Based on data from 368. to 647. K.; AC |
14.7 ± 0.02 | 580. | EB,IP | Chirico, Hossenlopp, et al., 1989 | Based on data from 368. to 647. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.356 | 324.9 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.029 | 182. | Domalski and Hearing, 1996 | CAL |
0.026 | 295. | ||
10.33 | 324.9 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.00535 | 182.0 | crystaline, III | crystaline, II | Chirico, Hossenlopp, et al., 1989 | Extrapolated value.; DH |
0.00796 | 295.0 | crystaline, II | crystaline, I | Chirico, Hossenlopp, et al., 1989 | Extrapolated value.; DH |
3.3554 | 324.925 | crystaline, I | liquid | Chirico, Hossenlopp, et al., 1989 | DH |
0.00535 | 182.0 | crystaline, III | crystaline, II | Chirico, Hossenlopp, et al., 1988 | Extrapolated value.; DH |
0.00796 | 295. | crystaline, II | crystaline, I | Chirico, Hossenlopp, et al., 1988 | Extrapolated value.; DH |
3.3554 | 324.925 | crystaline, I | liquid | Chirico, Hossenlopp, et al., 1988 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.029 | 182.0 | crystaline, III | crystaline, II | Chirico, Hossenlopp, et al., 1989 | Extrapolated; DH |
0.026 | 295.0 | crystaline, II | crystaline, I | Chirico, Hossenlopp, et al., 1989 | Extrapolated; DH |
10.33 | 324.925 | crystaline, I | liquid | Chirico, Hossenlopp, et al., 1989 | DH |
0.029 | 182.0 | crystaline, III | crystaline, II | Chirico, Hossenlopp, et al., 1988 | Extrapolated; DH |
0.026 | 295. | crystaline, II | crystaline, I | Chirico, Hossenlopp, et al., 1988 | Extrapolated; DH |
10.33 | 324.925 | crystaline, I | liquid | Chirico, Hossenlopp, et al., 1988 | DH |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLID (1% IN KI); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (100 g/L IN HEPTANE); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY
4, 4 $$SPECTRAL CONTAMINATION DUE TO SOLVENT AROUND 2820 AND 1425 CM^-^1 cm-1 resolution
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 | CONTINENTAL OIL CO., PONCA CITY, OKLAHOMA, USA |
NIST MS number | 58827 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Bavin, 1967 |
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Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 19817 |
Instrument | Beckmann DK 2 |
Melting point | 52-53 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chirico, Hossenlopp, et al., 1989
Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V.; Gammon, B.E.,
The thermodynamic properties of 4-methylphenanthrene,
J. Chem. Thermodyn., 1989, 21, 179-201. [all data]
Chirico, Hossenlopp, et al., 1988
Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V.,
The thermodynamic properties of 4-methylphenanthrene,
NIPER Report, 1988, 345, 42p. [all data]
Chirico, Hossenlopp, et al., 1989, 2
Chirico, R.D.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V.; Gammon, B.E.,
The thermodynamic properties of 4-methylphenanthrene,
J. Chem. Thermodyn., 1989, 21, 179. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Bavin, 1967
Bavin, P.M.G.,
UV atlas of organic compouds, 1967, 3, E3/10. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Ttriple Triple point temperature 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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