Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Benzene, 1,2,3,4-tetramethyl-

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, Phase change data, IR Spectrum, 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.

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
Deltafgas-36.0 ± 1.4kJ/molCcbDraeger, 1985Unpublished measurement of W.D.Good; ALS
Deltafgas-37.6 ± 1.2kJ/molN/AGood, 1975Value computed using «DELTA»fHliquid° value of -90.2±1.2 kj/mol from Good, 1975 and «DELTA»vapH° value of 52.6±0.17 kj/mol from missing citation.; DRB
Deltafgas-43.8 ± 3.0kJ/molN/AProsen, Johnson, et al., 1946Value computed using «DELTA»fHliquid° value of -96.4±3 kj/mol from Prosen, Johnson, et al., 1946 and «DELTA»vapH° value of 52.6±0.17 kj/mol from missing citation.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
140.6200.Draeger, 1985There 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
174.4273.15
186.1 ± 0.4298.15
187.0300.
233.6400.
276.3500.
313.2600.
344.7700.
371.6800.
394.6900.
414.41000.
431.41100.
446.11200.
458.81300.
469.71400.
479.21500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, 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.

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
Deltafliquid-90.2 ± 1.2kJ/molCcbGood, 1975ALS
Deltafliquid-96.4 ± 3.0kJ/molCcbProsen, Johnson, et al., 1946ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5845.7 ± 1.1kJ/molCcbGood, 1975Corresponding «DELTA»fliquid = -90.21 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5839.6 ± 3.0kJ/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -96.32 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5827.5 ± 5.9kJ/molCcbBanse and Parks, 1933Reanalyzed by Cox and Pilcher, 1970, Original value = -5823.58 kJ/mol; Corresponding «DELTA»fliquid = -108.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid290.8J/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 76.32 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
244.3298.Kurbatov, 1947T = 12 to 198°C, mean Cp, four temperatures.; DH
236.0291.9Huffman, Parks, et al., 1931T = 91 to 292 K. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, 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.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
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
Tboil478.1 ± 0.8KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus266.82KN/ABirch, Dean, et al., 1949Uncertainty assigned by TRC = 0.2 K; TRC
Tfus265.5KN/AParks and Huffman, 1931Uncertainty assigned by TRC = 1. K; TRC
Tfus265.75KN/ASmith and Lux, 1929Uncertainty assigned by TRC = 2.5 K; TRC
Tfus266.75KN/ASmith and MacDougall, 1929Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple265.4KN/AHuffman, Parks, et al., 1931, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltavap54.0kJ/molN/ARu«7825»icka, Zábranský, et al., 1994AC
Deltavap52.56 ± 0.17kJ/molCSabbah, Tabet, et al., 1994ALS
Deltavap52.6 ± 0.2kJ/molCSabbah, Tabet, et al., 1994See also Yaws, Yang, et al., 1990.; AC
Deltavap57.2kJ/molN/AReid, 1972AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
50.7367.AStephenson and Malanowski, 1987Based on data from 352. - 509. K.; AC
55.7331.N/AStull, 1947Based on data from 316. - 477. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
315.8 - 477.64.215961675.172-79.655Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
11.23265.4Domalski and Hearing, 1996AC
11.230265.4Huffman, Parks, et al., 1931DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
42.3265.4Huffman, Parks, et al., 1931DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 GULF R. D. CO., PITTSBURGH, PA, USA
NIST MS number 34793

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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.

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]

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]

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]

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]

Birch, Dean, et al., 1949
Birch, S.F.; Dean, R.A.; Fidler, F.A.; Lowry, R.A., The preparation of the c(10) monocyclic aromatic hydrocarbons, J. Am. Chem. Soc., 1949, 71, 1362. [all data]

Parks and Huffman, 1931
Parks, G.S.; Huffman, H.M., Some fusion and transition data for hydrocarbons, Ind. Eng. Chem., 1931, 23, 1138-9. [all data]

Smith and Lux, 1929
Smith, L.I.; Lux, A.R., Studies on the Polymethylbenzenes I. A Study of the Jacobsen Reaction with Pentamethylbenzene, and the Preparation of Prehnitene, J. Am. Chem. Soc., 1929, 51, 2994-3000. [all data]

Smith and MacDougall, 1929
Smith, L.I.; MacDougall, F.H., Studies on the Polymethylbenzenes II. The Melting Points of the Tetramethylbenzenes, and of Penta- and Hexamethylbenzene, and the Freezing Point Diagram of Mixtures of Durene and Isodurene, J. Am. Chem. Soc., 1929, 51, 3001-8. [all data]

Huffman, Parks, et al., 1931, 2
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, 3876-88. [all data]

Ru«7825»icka, Zábranský, et al., 1994
Ru«7825»icka, Vlastimil; Zábranský, Milan; Ru«7825»icka, Kvetoslav; Majer, Vladimír, Vapor pressures for a group of high-boiling alkylbenzenes under environmental conditions, Thermochimica Acta, 1994, 245, 121-144, https://doi.org/10.1016/0040-6031(94)85073-9 . [all data]

Sabbah, Tabet, et al., 1994
Sabbah, R.; Tabet, D.; Belaadi, S., Enthalpie de sublimation ou vaporisation de quelques derives methyles du benzene, Thermochim. Acta, 1994, 247, 193-199. [all data]

Yaws, Yang, et al., 1990
Yaws, C.L.; Yang, H.C.; Cawley, W.A., Predict enthalpy of vaporization, Hydrocarb. Process. Int. Ed., 1990, 69, 6, 87. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References