1,4-Butanedione, 1,4-diphenyl-
- Formula: C16H14O2
- Molecular weight: 238.2812
- IUPAC Standard InChIKey: OSWWFLDIIGGSJV-UHFFFAOYSA-N
- CAS Registry Number: 495-71-6
- 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: 1,2-Dibenzoylethane; 1,4-Diphenyl-1,4-butanedione; 2,2''-Biacetophenone; Biphenacyl; Dibenzoylethane; Ethane, 1,2-dibenzoyl-
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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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 418.6 | K | N/A | Spaght, Thomas, et al., 1932 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.3169 | 418.6 | Spaght, Thomas, et al., 1932, 2 | DH |
9.319 | 418.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.3 | 418.6 | Spaght, Thomas, et al., 1932, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.280 | 187. | Domalski and Hearing, 1996 | CAL |
22.3 | 418.6 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0521 | 187. | crystaline, II | crystaline, I | Parks and Huffman, 1930 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.280 | 187. | crystaline, II | crystaline, I | Parks and Huffman, 1930 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spaght, Thomas, et al., 1932
Spaght, M.E.; Thomas, S.B.; Parks, G.S.,
Some heat capacity data on organic compounds obtained with a radiation calorimeter,
J. Phys. Chem., 1932, 36, 882-8. [all data]
Spaght, Thomas, et al., 1932, 2
Spaght, M.E.; Thomas, S.B.; Parks, G.S.,
Some heat capacity data on organic compounds obtained with a radiation calorimeter,
J. Phys. Chem., 1932, 36, 882-888. [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]
Parks and Huffman, 1930
Parks, G.S.; Huffman, H.M.,
Thermal data on organic compounds. IX. A study of the effect of unsaturation on the heat capacities, entropies and free energies of some hydrocarbons and other compounds,
J. Am. Chem. Soc., 1930, 52, 4381-4391. [all data]
Notes
Go To: Top, Phase change data, 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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