Benzene, 1,2,4,5-tetramethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: SQNZJJAZBFDUTD-UHFFFAOYSA-N
- CAS Registry Number: 95-93-2
- 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: Durene; Durol; 1,2,4,5-Tetramethylbenzene; p-Xylene, 2,5-dimethyl-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -11.3 ± 0.45 | kcal/mol | Ccb | Colomina, Jimenez, et al., 1989 | see Boned, Colomina, et al., 1964; ALS |
ΔfH°gas | -11.21 ± 0.43 | kcal/mol | Ccb | Draeger, 1985 | Unpublished measurments of W.D.Good; ALS |
ΔfH°gas | -10.8 | kcal/mol | N/A | Good, 1975 | Value computed using ΔfHsolid° value of -119.9±1.3 kj/mol from Good, 1975 and ΔsubH° value of 74.6 kj/mol from Colomina, Jimenez, et al., 1989.; DRB |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.27 | 200. | Draeger, 1985 | There is an appreciable difference between values of S(T) and Cp(T) for tetra-, penta-, and hexamethylbenzene from earlier statistical thermodynamics calculation [ Hastings S.H., 1957] and those obtained by [ Draeger, 1985] (up to 5, 9, and 16 J/mol*K, respectively). Results [ Draeger, 1985] are more reliable and they agree with experimental data for hexamethylbenzene.; GT |
41.01 | 273.15 | ||
43.76 ± 0.1 | 298.15 | ||
43.98 | 300. | ||
55.14 | 400. | ||
65.46 | 500. | ||
74.43 | 600. | ||
82.03 | 700. | ||
88.53 | 800. | ||
94.10 | 900. | ||
98.88 | 1000. | ||
103.0 | 1100. | ||
106.5 | 1200. | ||
109.5 | 1300. | ||
112.2 | 1400. | ||
114.4 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 |
---|---|---|---|---|---|
ΔfH°liquid | -23.58 ± 0.71 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1395.16 ± 0.72 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -23.56 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1388.4 ± 1.4 | kcal/mol | Ccb | Banse and Parks, 1933 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1387.44 kcal/mol; Corresponding ΔfHºliquid = -30.32 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 58.70 | cal/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 76.69 J/mol*K.; DH |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -29.09 ± 0.45 | kcal/mol | Ccb | Colomina, Jimenez, et al., 1989 | see Boned, Colomina, et al., 1964; ALS |
ΔfH°solid | -28.65 ± 0.31 | kcal/mol | Ccb | Good, 1975 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1389.6 ± 0.33 | kcal/mol | Ccb | Colomina, Jimenez, et al., 1989 | see Boned, Colomina, et al., 1964; Corresponding ΔfHºsolid = -29.09 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -1390.07 ± 0.29 | kcal/mol | Ccb | Good, 1975 | Corresponding ΔfHºsolid = -28.65 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
65.89 | 353. | Kurbatov, 1947 | T = 80 to 193°C, mean Cp, three temperatures.; DH |
52.61 | 298.1 | Eibert, 1944 | T = 25 to 200°C, equations only in t°C. Cp(c) = 0.3662 + 0.001033t cal/g*K (25 to 45°C); Cp(liq) = 0.424 + 0.000589t cal/g*K (79 to 200°C).; DH |
51.41 | 297.1 | Huffman, Parks, et al., 1931 | T = 92 to 297.1 K. Value is unsmoothed experimental datum.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
48.762 | 298.15 | Colomina, Jimenez, et al., 1989 | DH |
51.53 | 303.15 | Ferry and Thomas, 1933 | T = 303 to 393 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, 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.
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]
Draeger, 1985
Draeger, J.A.,
The methylbenzenes II. Fundamental vibrational shifts, statistical thermodynamic functions, and properties of formation,
J. Chem. Thermodyn., 1985, 17, 263-275. [all data]
Good, 1975
Good, W.D.,
The standard enthalpies of combustion and formation of n-butylbenzene, the dimethylethylbenzenes, and the tetramethylbenzenes in the condensed state,
J. Chem. Thermodyn., 1975, 7, 49-59. [all data]
Hastings S.H., 1957
Hastings S.H.,
Thermodynamic properties of selected methylbenzenes from 0 to 1000 K,
J. Phys. Chem., 1957, 61, 730-735. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes,
J. Res. NBS, 1946, 36, 455-461. [all data]
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]
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]
Kurbatov, 1947
Kurbatov, V.Ya.,
Specific heat of liquids. I. Specific heat of benzenoid hydrocarbons,
Zhur. Obshch. Khim., 1947, 17, 1999-2003. [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, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.