Benzene, 1,1'-(1,4-butanediyl)bis-
- Formula: C16H18
- Molecular weight: 210.3141
- IUPAC Standard InChI: InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
- IUPAC Standard InChIKey: GLJFYGFBITUZOE-UHFFFAOYSA-N
- CAS Registry Number: 1083-56-3
- 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. - Other names: Butane, 1,4-diphenyl-; 1,4-Diphenylbutane; 1,4-Diphenyl-n-butane
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Condensed phase thermochemistry data
Go To: Top, Reaction 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -8858.7 ± 2.0 | kJ/mol | Ccb | Coops, Hoijtink, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -8858. ± 2. kJ/mol; Corresponding ΔfHºsolid = -9.93 kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -8912. | kJ/mol | Ccb | Serijan and Wise, 1952 | Corresponding ΔfHºsolid = 42. kJ/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -9121.1 | kJ/mol | Ccb | Wise, Serijan, et al., 1951 | Corresponding ΔfHºsolid = 252. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Reaction 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 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
2 +
=
By formula: 2H2 + C16H14 = C16H18
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -184.26 ± 0.62 | kJ/mol | Chyd | Williams, 1942 | liquid phase; solvent: Acetic acid; At 302 K |
4 +
=
By formula: 4H2 + C16H10 = C16H18
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -495.8 ± 4.1 | kJ/mol | Chyd | Davis, Allinger, et al., 1985 | liquid phase; solvent: Hexane |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Coops, Hoijtink, et al., 1953
Coops, J.; Hoijtink, G.J.; Kramer, TH.J.E.,
Thermochemical investigations on arylethanes. II. Heats of combustion of some para and ortho tolylthanes and phenylbutanes.,
Rec. Trav. Chim. Pays/Bas, 1953, 72, 793. [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]
Serijan and Wise, 1952
Serijan, K.T.; Wise, P.H.,
Dicyclic hydrocarbons. V. Synthesis and physical properties of the diphenyl- and dicyclohexylbutanes,
J. Am. Chem. Soc., 1952, 74, 365-368. [all data]
Wise, Serijan, et al., 1951
Wise, C.H.; Serijan, K.T.; Goodman, I.A.,
NACA Technical Report 1003,
NACA Technical Report 1003, 1951, 1-10. [all data]
Williams, 1942
Williams, R.B.,
Heats of catalytic hydrogenation in solution. I. Apparatus, technique, and the heats of hydrogenation of certain pairs of stereoisomers,
J. Am. Chem. Soc., 1942, 64, 1395-1404. [all data]
Davis, Allinger, et al., 1985
Davis, H.E.; Allinger, N.L.; Rogers, D.W.,
Enthalpies of hydrogenation of phenylalkynes: indirect determination of the enthalpy of formation of diphenylcyclopropenone,
J. Org. Chem., 1985, 50, 3601-3604. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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