Benzene, 1,4-diethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: DSNHSQKRULAAEI-UHFFFAOYSA-N
- CAS Registry Number: 105-05-5
- 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: Benzene, p-diethyl-; p-Diethylbenzene; p-Ethylethylbenzene; 1,4-Diethylbenzene; para-Diethylbenzene
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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -72.84 ± 0.96 | kJ/mol | Ccb | Good, 1973 | |
ΔfH°liquid | -73.1 ± 1.8 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -5863.08 ± 0.79 | kJ/mol | Ccb | Good, 1973 | Corresponding ΔfHºliquid = -72.84 kJ/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -5862.9 ± 1.8 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -73.01 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 456.7 ± 0.6 | K | AVG | N/A | Average of 18 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 229.90 | K | N/A | Birch, Dean, et al., 1949 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 229.6 | K | N/A | Boord, Perilstein, et al., 1944 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 657.9 ± 0.5 | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 657.89 | K | N/A | Ambrose, Broderick, et al., 1967 | Uncertainty assigned by TRC = 0.15 K; TRC |
Tc | 657.87 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.03 K; Visual, PRT, IPTS-48, sample wrongly named isobutyl benzene; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 28.0 ± 0.4 | bar | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 28.03 | bar | N/A | Ambrose, Broderick, et al., 1967 | Uncertainty assigned by TRC = 0.07 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 52.5 | kJ/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
45.8 | 384. | A | Stephenson and Malanowski, 1987 | Based on data from 369. to 464. K. See also Forziati, Norris, et al., 1949.; 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 |
---|---|---|---|---|
369.97 to 457.97 | 4.12544 | 1589.273 | -71.131 | Forziati, Norris, et al., 1949, 2 |
Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C10H14 = H2 + C10H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 130. ± 8. | kJ/mol | Cm | Lebedev, Rozhkov, et al., 1983 | gas phase; Dehydrogenation, gas phase |
Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.40 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.40 | PE | Bock, Kaim, et al., 1978 | LLK |
8.43 | PE | Gleiter, Hopf, et al., 1980 | Vertical value; LLK |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-3762 |
NIST MS number | 229731 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.
Good, 1973
Good, W.D.,
The enthalpies of combustion and formation of n-butylbenzene, the diethylbenzenes, the methyl-n-propylbenzenes, and the methyl-iso-propylbenzenes,
J. Chem. Thermodyn., 1973, 5, 707-714. [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]
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]
Boord, Perilstein, et al., 1944
Boord, C.E.; Perilstein, W.L.; Greenlee, K.W.,
, Am. Pet. Inst. Hydrocarbon Res. Proj., Sixth Annu. Ref., Ohio State Univ., Aug. 31, 1944. [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]
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. , 1967, 1967, 1967, 633-41. [all data]
Ambrose, Cox, et al., 1960
Ambrose, D.; Cox, J.D.; Townsend, R.,
The critical temperatures of forty organic compounds,
Trans. Faraday Soc., 1960, 56, 1452. [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]
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]
Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050
. [all data]
Lebedev, Rozhkov, et al., 1983
Lebedev, N.N.; Rozhkov, V.I.; Odabashyan, G.V.; Rozhkova, I.O.; Zaidman, O.A.,
Dehydrogenation of p-diethylbenzene,
Neftekhimiya, 1983, 23, 508-510. [all data]
Bock, Kaim, et al., 1978
Bock, H.; Kaim, W.; Rohwer, H.E.,
Die hyperkonjugative Stabilisierung von p-Xylol-Radikalkationen durch (H3C)3Si-Substituenten,
Chem. Ber., 1978, 111, 3573. [all data]
Gleiter, Hopf, et al., 1980
Gleiter, R.; Hopf, H.; Eckert-Maksic, M.; Noble, K.-L.,
Photoelektronenspektren von [8]paracyclophan und [8]paracyclophan-4-en. Eine ermittlung des induktiven und hyperkonjugativen effekts fur [n]Ppracyclophane,
Chem. Ber., 1980, 113, 3401. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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