Benzene, pentamethyl-
- Formula: C11H16
- Molecular weight: 148.2447
- IUPAC Standard InChI: InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
- IUPAC Standard InChIKey: BEZDDPMMPIDMGJ-UHFFFAOYSA-N
- CAS Registry Number: 700-12-9
- 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: Pentamethylbenzene; 1,2,3,4,5-Pentamethylbenzene; Benzene, 1,2,3,4,5-pentamethyl-
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Condensed phase thermochemistry data
Go To: Top, 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:
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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -6475.6 ± 6.3 | kJ/mol | Ccb | Banse and Parks, 1933 | Reanalyzed by Cox and Pilcher, 1970, Original value = -6470.64 kJ/mol; Corresponding ΔfHºliquid = -139.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -144.6 ± 2.2 | kJ/mol | Ccb | Colomina, Jimenez, et al., 1989 | see Boned, Colomina, et al., 1964; ALS |
| ΔfH°solid | -135.1 ± 2.6 | kJ/mol | Ccb | Parks, West, et al., 1946 | Reanalyzed by Cox and Pilcher, 1970, Original value = -135.7 ± 0.04 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -6470.6 ± 1.6 | kJ/mol | Ccb | Colomina, Jimenez, et al., 1989 | see Boned, Colomina, et al., 1964; Corresponding ΔfHºsolid = -144.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -6480.1 ± 2.6 | kJ/mol | Ccb | Parks, West, et al., 1946 | Reanalyzed by Cox and Pilcher, 1970, Original value = -6479.6 ± 2.6 kJ/mol; Corresponding ΔfHºsolid = -135.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 294.1 | J/mol*K | N/A | Huffman, Parks, et al., 1931 | crystaline, I phase; Extrapolation below 90 K, 102.9 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 210.5 | 298.15 | Colomina, Jimenez, et al., 1989 | DH |
| 270.3 | 298.1 | Eibert, 1944 | crystaline, I phase; T = 25 to 200°C, equations only, in t°C. Cp(c) = 0.3914 + 0.001760t cal/g*K (25 to 40°C); Cp(liq) = 0.432 + 0.000425 t cal/g*K (55 to 200°C).; DH |
| 267.3 | 303. | Ferry and Thomas, 1933 | T = 303 to 393 K.; DH |
| 251.0 | 283.8 | Huffman, Parks, et al., 1931 | crystaline, I phase; T = 92 to 304 K. Value is unsmoothed experimental datum.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Banse and Parks, 1933
Banse, H.; Parks, G.S.,
Thermal data on organic compounds. XII. The heats of combustion of nine hydrocarbons,
J. Am. Chem. Soc., 1933, 55, 3223-3227. [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]
Colomina, Jimenez, et al., 1989
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of 1,2,4,5-tetramethylbenzene, pentamethylbenzene, and hexamethylbenzene,
J. Chem. Thermodyn., 1989, 21, 275-281. [all data]
Boned, Colomina, et al., 1964
Boned, M.L.; Colomina, M.; Perez-Ossorio, R.; Turrion, C.,
Investigaciones termoquimicas sobre los polimetilbencenos superiores,
Anal. Fisc. Quim. B, 1964, 60, 459-468. [all data]
Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A.,
Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols,
J. Am. Chem. Soc., 1946, 68, 2524-2527. [all data]
Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M.,
Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons,
J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]
Eibert, 1944
Eibert, J.,
Thesis Washington University (St. Louis), 1944. [all data]
Ferry and Thomas, 1933
Ferry, J.D.; Thomas, S.B.,
Some heat capacity data for durene, pentamethylbenzene, stilbene, and dibenzyl,
J. Phys. Chem., 1933, 37, 253-255. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, 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) ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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