Benzene, hexaethyl-
- Formula: C18H30
- Molecular weight: 246.4308
- IUPAC Standard InChI: InChI=1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3
- IUPAC Standard InChIKey: LXSMILGNHYBUCG-UHFFFAOYSA-N
- CAS Registry Number: 604-88-6
- 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: Hexaethylbenzene; Hexaetenzee
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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:
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 571.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 402.3 | K | N/A | Ogimachi, Andrews, et al., 1955 | Uncertainty assigned by TRC = 1. K; TRC |
| Tfus | 400. | K | N/A | Larsen, Thorpe, et al., 1942 | Uncertainty assigned by TRC = 2. K; TRC |
| Tfus | 401.65 | K | N/A | Malishev, 1935 | Uncertainty assigned by TRC = 1. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 41.3 ± 0.92 | kJ/mol | C | Holdiness, 1984 | Hf NR; ALS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 62.6 | 422. | A | Stephenson and Malanowski, 1987 | Based on data from 407. - 572. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 407.5 - 571.4 | 4.62778 | 2360.733 | -60.498 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 95.0 ± 4.0 | 340. | HSA | Chickos, Annunziata, et al., 1986 | Based on data from 327. - 352. K.; AC |
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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Ogimachi, Andrews, et al., 1955
Ogimachi, N.N.; Andrews, L.J.; Keefer, R.M.,
The Free Energies and Heats of Formation of Polyalkoxybenzene-Iodine Monochloride Complexes,
J. Am. Chem. Soc., 1955, 77, 4202. [all data]
Larsen, Thorpe, et al., 1942
Larsen, R.G.; Thorpe, R.E.; Armfield, F.A.,
Oxidation Characteristics of Pure Hydrocarbons,
Ind. Eng. Chem., 1942, 34, 183. [all data]
Malishev, 1935
Malishev, B.W.,
Direct Alkylation of Aromatic Hydrocarbons by Olefins Under Catalytic Influence of Phosphorous Pentoxide,
J. Am. Chem. Soc., 1935, 57, 883. [all data]
Holdiness, 1984
Holdiness, M.R.,
Resonance energy of hexaethylbenzene and hexamethylbenzene,
Thermochim. Acta, 1984, 78, 435-436. [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]
Chickos, Annunziata, et al., 1986
Chickos, J.S.; Annunziata, R.; Ladon, L.H.; Hyman, A.S.; Liebman, J.F.,
Estimating heats of sublimation of hydrocarbons. A semiempirical approach,
J. Org. Chem., 1986, 51, 4311-4314. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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