1,1,1,2-Tetraphenylethane
- Formula: C26H22
- Molecular weight: 334.4529
- IUPAC Standard InChIKey: KGSFMPRFQVLGTJ-UHFFFAOYSA-N
- CAS Registry Number: 2294-94-2
- 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: Benzene, 1,1',1'',1'''-(1-ethanyl-2-ylidyne)tetrakis-; Ethane, 1,1,1,2-tetraphenyl-
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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 | 365. ± 3. | kJ/mol | Ccb | Beckhaus, Dogan, et al., 1990 |
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 | 233. ± 3. | kJ/mol | Ccb | Beckhaus, Dogan, et al., 1990 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -13606. ± 3. | kJ/mol | Ccb | Beckhaus, Dogan, et al., 1990 | Corresponding ΔfHºsolid = 231. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -13401.1 ± 1.3 | kJ/mol | Ccb | Coops, Mulder, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -13602. ± 3. kJ/mol; See Coops, Mulder, et al., 1946; Corresponding ΔfHºsolid = 25.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
395.4 | 298.5 | Smith and Andrews, 1931 | T = 102 to 346 K. Value is unsmoothed experimental datum.; 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 417. | K | N/A | Brewster, Patterson, et al., 1954 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 416.75 | K | N/A | Smith and Andrews, 1931, 2 | Uncertainty assigned by TRC = 0.3 K; m.p. with /Hg thermometer; TRC |
Tfus | 414.25 | K | N/A | Smith and Andrews, 1931, 2 | Uncertainty assigned by TRC = 0.5 K; f.p. with thermocouple; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 133. | kJ/mol | V | Beckhaus, Dogan, et al., 1990 | ALS |
ΔsubH° | 132.0 | kJ/mol | N/A | Beckhaus, Dogan, et al., 1990 | DRB |
ΔsubH° | 132.6 ± 2.1 | kJ/mol | GS | Beckhaus, Dogan, et al., 1990 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
551.7 | 0.028 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
126.4 ± 1.7 | 434. | HSA | Beynon and Nicholson, 2002 | AC |
128.7 ± 2.1 | 370. | GS | Beckhaus, Dogan, et al., 1990 | Based on data from 340. to 400. K.; AC |
IR 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.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
---|---|
NIST MS number | 15502 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.
Beckhaus, Dogan, et al., 1990
Beckhaus, H.D.; Dogan, B.; Schaetzer, J.; Hellmann, S.; Ruchardt, C.,
Thermische stabilitat und bildungsenthalpie von 1,2,2,2- und 1,1,1,2- tetraphenylethan. - Die stabilisierungsenergien von benzhydryl- und triphenylmethyl-radikalen,
Chem. Ber., 1990, 123, 137-144. [all data]
Coops, Mulder, et al., 1953
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J.,
Thermochemical investigations on arylethanes I. Heats of combustion of phenylethanes.,
Rec. Trav. Chim. Pays/Bas, 1953, 72, 785. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Coops, Mulder, et al., 1946
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J.,
The heats of combustion of a number of hydrocarbons,
Rec. Trav. Chim. Pays/Bas, 1946, 65, 128. [all data]
Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H.,
Thermal energy studies. I. Phenyl derivatives of methane,
ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]
Brewster, Patterson, et al., 1954
Brewster, J.H.; Patterson, J.W.; Fidler, D.A.,
Reductions at Metal Surfaces III. Clemensen Reduction of Some Sterically- hindered Ketones,
J. Am. Chem. Soc., 1954, 76, 6368. [all data]
Smith and Andrews, 1931, 2
Smith, R.H.; Andrews, D.H.,
Thermal Energy Studies I. Phenyl Derivatives of Methane, Ethane and Some Related Compounds,
J. Am. Chem. Soc., 1931, 53, 3644. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Beynon and Nicholson, 2002
Beynon, J.H.; Nicholson, G.R.,
A radioactive ionization gauge and its application to the measurement of latent heat of vaporization,
J. Sci. Instrum., 2002, 33, 10, 376-380, https://doi.org/10.1088/0950-7671/33/10/302
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tboil Boiling point Tfus Fusion (melting) point 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 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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