p-Xylene
- Formula: C8H10
- Molecular weight: 106.1650
- IUPAC Standard InChIKey: URLKBWYHVLBVBO-UHFFFAOYSA-N
- CAS Registry Number: 106-42-3
- 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. - Isotopologues:
- Other names: Benzene, 1,4-dimethyl-; p-Dimethylbenzene; p-Xylol; 1,4-Dimethylbenzene; 1,4-Xylene; p-Methyltoluene; para-Xylene; Chromar; Scintillar; 4-Methyltoluene; NSC 72419; UN 1307; 1,4-dimethyl-benzene ( p-xylene)
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Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 411.4 ± 0.5 | K | AVG | N/A | Average of 59 out of 65 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 286.3 ± 0.2 | K | AVG | N/A | Average of 18 out of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 286.400 | K | N/A | Messerly, Finke, et al., 1988 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 286.3 | K | N/A | Huffman, Parks, et al., 1930 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 617. ± 3. | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34. ± 2. | atm | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.378 | l/mol | N/A | Tsonopoulos and Ambrose, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.65 ± 0.02 | mol/l | N/A | Tsonopoulos and Ambrose, 1995 | |
ρc | 2.661 | mol/l | N/A | Akhundov and Imanov, 1970 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 2.644 | mol/l | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10. ± 1. | kcal/mol | AVG | N/A | Average of 14 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.525 | 411.5 | N/A | Majer and Svoboda, 1985 | |
9.63 | 353. | N/A | Hossenlopp and Archer, 1988 | AC |
8.91 | 426. | A | Stephenson and Malanowski, 1987 | Based on data from 411. to 463. K.; AC |
8.63 | 475. | A | Stephenson and Malanowski, 1987 | Based on data from 460. to 553. K.; AC |
8.65 | 566. | A | Stephenson and Malanowski, 1987 | Based on data from 551. to 616. K.; AC |
10.1 | 301. | IP,EB | Stephenson and Malanowski, 1987 | Based on data from 286. to 453. K. See also Osborn and Douslin, 1974.; AC |
8.60 ± 0.02 | 411. | C | Natarajan and Viswanath, 1985 | AC |
8.25 ± 0.02 | 436. | C | Natarajan and Viswanath, 1985 | AC |
7.29 ± 0.02 | 484. | C | Natarajan and Viswanath, 1985 | AC |
5.90 ± 0.02 | 540. | C | Natarajan and Viswanath, 1985 | AC |
8.91 | 395. | N/A | Castellari, Francesconi, et al., 1982 | Based on data from 380. to 410. K.; AC |
9.94 | 318. | N/A | Gaw and Swinton, 1968 | Based on data from 303. to 343. K.; AC |
9.58 | 347. | MM | Willingham, Taylor, et al., 1945 | Based on data from 332. to 413. K. See also Forziati, Norris, et al., 1949.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 440. | 13.91 | 0.2768 | 616.2 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
286.43 to 452.38 | 4.13982 | 1474.403 | -55.377 | Osborn and Douslin, 1974 | Coefficents calculated by NIST from author's data. |
420.00 to 600.00 | 4.50373 | 1788.91 | -13.902 | Ambrose, Broderick, et al., 1967 | Coefficents calculated by NIST from author's data. |
331.44 to 412.44 | 4.10567 | 1450.688 | -58.16 | Williamham, Taylor, et al., 1945 | |
298. to 333. | 4.44318 | 1644.214 | -40.229 | Pitzer and Scott, 1943 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.2 | 271. | N/A | Stephenson and Malanowski, 1987 | Based on data from 247. to 286. K. See also Osborn and Douslin, 1974.; AC |
14.5 | 286. | B | Hessler and Lichtenstein, 1986 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.091172 | 286.405 | Messerly, Finke, et al., 1988, 2 | DH |
4.0870 | 286.3 | Corruccini and Ginnings, 1947 | DH |
4.0901 | 286.39 | Pitzer and Scott, 1943 | DH |
4.089 | 286.3 | Domalski and Hearing, 1996 | AC |
4.0471 | 286.3 | Huffman, Parks, et al., 1930, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.29 | 286.405 | Messerly, Finke, et al., 1988, 2 | DH |
14.28 | 286.3 | Corruccini and Ginnings, 1947 | DH |
14.28 | 286.39 | Pitzer and Scott, 1943 | DH |
14.13 | 286.3 | Huffman, Parks, et al., 1930, 2 | 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.
Messerly, Finke, et al., 1988
Messerly, J.F.; Finke, H.L.; Good, W.D.; Gammon, B.E.,
Condensed-phase heat capacities and derived thermodynamic properties for 1,4-dimethylbenzene, 1,2-diphenylethane, and 2,3-dimethylnaphthalene,
J. Chem. Thermodyn., 1988, 20, 485. [all data]
Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Daniels, A.C.,
Thermal Data on Organic Compounds: VII The Heat Capacities, Entropies and Free Energies of Twelve Aromatic Hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1547-58. [all data]
Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons,
J. Chem. Eng. Data, 1995, 40, 547-558. [all data]
Akhundov and Imanov, 1970
Akhundov, T.S.; Imanov, Sh.Yu.,
Teplofiz. Svoistva Zhidk., 1970, 1970, 48-55. [all data]
Simon, 1957
Simon, M.,
Methods and Apparatus Used at the Bureau of Physicochemical Standards XV. Critical Constants and Straight-Line Diameters of Ten Hydrocarbons,
Bull. Soc. Chim. Belg., 1957, 66, 375-81. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Hossenlopp and Archer, 1988
Hossenlopp, I.A.; Archer, D.G.,
Enthalpies of vaporization of piperidine and 1,2-dimethylbenzene; gas-phase isobaric heat capacities of piperidine,
The Journal of Chemical Thermodynamics, 1988, 20, 9, 1061-1068, https://doi.org/10.1016/0021-9614(88)90112-7
. [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]
Osborn and Douslin, 1974
Osborn, Ann G.; Douslin, Donald R.,
Vapor-pressure relations for 15 hydrocarbons,
J. Chem. Eng. Data, 1974, 19, 2, 114-117, https://doi.org/10.1021/je60061a022
. [all data]
Natarajan and Viswanath, 1985
Natarajan, Govindarajan; Viswanath, Dabir S.,
Enthalpy of vaporization and vapor pressure of benzene, toluene, p-xylene, and tetralin between 1 and 16 bar,
J. Chem. Eng. Data, 1985, 30, 2, 137-140, https://doi.org/10.1021/je00040a001
. [all data]
Castellari, Francesconi, et al., 1982
Castellari, Carlo; Francesconi, Romolo; Comelli, Fabio,
Vapor-liquid equilibriums in binary systems containing 1,3-dioxolane at isobaric conditions. 3. Binary mixtures of 1,3-dioxolane with o-, m-, and p-xylenes,
J. Chem. Eng. Data, 1982, 27, 2, 156-158, https://doi.org/10.1021/je00028a017
. [all data]
Gaw and Swinton, 1968
Gaw, W.J.; Swinton, F.L.,
Thermodynamic properties of binary systems containing hexafluorobenzene. Part 4.?Excess Gibbs free energies of the three systems hexafluorobenzene + benzene, touene, and p-xylene,
Trans. Faraday Soc., 1968, 64, 2023, https://doi.org/10.1039/tf9686402023
. [all data]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [all data]
Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D.,
Vapor pressures and boiling points of sixty API-NBS hydrocarbons,
J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050
. [all data]
Ambrose, Broderick, et al., 1967
Ambrose, D.; Broderick, B.E.; Townsend, R.,
The Vapour Pressures Above the Normal Boiling Point and the Critical Pressures of Some Aromatic Hydrocarbons,
J. Chem. Soc. A:, 1967, 633-641, https://doi.org/10.1039/j19670000633
. [all data]
Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009
. [all data]
Pitzer and Scott, 1943
Pitzer, K.S.; Scott, D.W.,
The thermodynamics and molecular structure of benzene and its methyl derivatives,
J. Am. Chem. Soc., 1943, 65, 803-829. [all data]
Hessler and Lichtenstein, 1986
Hessler, W.; Lichtenstein, W.,
Wiss. Zeitschr. Wilhelm-Pieck-Univ. Rostock, Naturwiss. Reihe, 1986, 35, 7, 27. [all data]
Messerly, Finke, et al., 1988, 2
Messerly, J.F.; Finke, H.L.; Good, W.D.; Gammon, B.E.,
Condensed-phase heat capacities and derived thermodynamic properties for 1,4-dimethylbenzene, 1,2-diphenylethane, and 2,3-dimethylnaphthalene,
J. Chem. Thermodynam., 1988, 20, 485-501. [all data]
Corruccini and Ginnings, 1947
Corruccini, R.J.; Ginnings, D.C.,
The enthalpy, entropy and specific heat of liquid p-xylene from 0 to 300°. The heat of fusion,
J. Am. Chem. Soc., 1947, 69, 2291-2294. [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]
Huffman, Parks, et al., 1930, 2
Huffman, H.M.; Parks, G.S.; Daniels, A.C.,
Thermal data on organic compounds. VII. The heat capacities, entropies and free energies of twelve aromatic hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1547-1558. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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