1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl
- Formula: C30H22
- Molecular weight: 382.4957
- IUPAC Standard InChI: InChI=1S/C30H22/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-30(22-20-29)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-22H
- IUPAC Standard InChIKey: OMCUOJTVNIHQTI-UHFFFAOYSA-N
- CAS Registry Number: 3073-05-0
- 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: p-Quinquephenyl; p-Pentaphenyl; p-Quinquiphenyl
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 645. | K | N/A | Vdovtsova and Tsukervanik, 1954 | Uncertainty assigned by TRC = 6. K; TRC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.110 | 659.6 | Smith, 1979 | Solid-nematic phase change.; DH |
Entropy of fusion
| ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 15.3 | 659.6 | Smith, 1979 | Solid-nematic; DH |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.220 | 688.1 | liquid | liquid | Smith, 1979 | DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.320 | 688.1 | liquid, Nematic | liquid, isotropic phase change | Smith, 1979 | DH |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.18 ± 0.05 | EI | Gallegos, 1967 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, UV/Visible spectrum, 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: 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 | LAC, NIDDK, NIH, Bethesda, MD 20892 |
| NIST MS number | 214802 |
UV/Visible spectrum
Go To: Top, Phase change data, Gas phase ion energetics data, 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.
Spectrum
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Additional Data
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| Source | Clar, 1948 |
|---|---|
| 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. 10138 |
| State | <none> |
| Instrument | n.i.g. |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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.
Vdovtsova and Tsukervanik, 1954
Vdovtsova, E.A.; Tsukervanik, I.P.,
Condensation of Phenylaluminum Diiodide with Aromatic Halogen Compounds,
Zh. Obshch. Khim., 1954, 24, 558. [all data]
Smith, 1979
Smith, G.W.,
Phase behavior of some linear polyphenyls,
Mol. Cryst. Liq. Cryst., 1979, 49, 207-209. [all data]
Gallegos, 1967
Gallegos, E.J.,
Mass spectrometry of some polyphenyls,
J. Phys. Chem., 1967, 71, 1647. [all data]
Clar, 1948
Clar, E.,
Chem. Ber., 1948, 81, 52. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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