Phenylethyne
- Formula: C8H6
- Molecular weight: 102.1332
- IUPAC Standard InChIKey: UEXCJVNBTNXOEH-UHFFFAOYSA-N
- CAS Registry Number: 536-74-3
- 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, ethynyl-; Ethyne, phenyl-; Ethynylbenzene; Phenylacetylene; 1-Phenylethyne; Acetylene, phenyl-; Ethinylbenzene
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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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 415. to 417. | K | N/A | Farchan Laboratories, 1990 | BS |
Tboil | 416.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 415.65 | K | N/A | Smith and Andrews, 1931 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 414.65 | K | N/A | Moureu and Andre, 1914 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 412.65 | K | N/A | Bruhl, 1886 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 228.35 | K | N/A | Smith and Andrews, 1931 | Uncertainty assigned by TRC = 0.4 K; freezing point with theremocouple; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 228.04 | K | N/A | Lebedev, Bykova, et al., 1982 | Uncertainty assigned by TRC = 0.02 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.6 ± 0.1 | 320. | EB | Steele, Chirico, et al., 2002 | Based on data from 313. to 416. K.; AC |
40.4 ± 0.1 | 360. | EB | Steele, Chirico, et al., 2002 | Based on data from 313. to 416. K.; AC |
38.0 ± 0.2 | 400. | EB | Steele, Chirico, et al., 2002 | Based on data from 313. to 416. K.; AC |
43.9 | 278. | MM | Chickos, Hyman, et al., 1981 | Based on data from 265. to 291. K.; AC |
45.2 | 281. | HSA | Chickos, Hyman, et al., 1981 | Based on data from 270. to 292. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.460 | 228.04 | Lebedev, Bykova, et al., 1982, 2 | DH |
9.46 | 228. | Lebedev, Bykova, et al., 1982 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.5 | 228.04 | Lebedev, Bykova, et al., 1982, 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.
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
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]
Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H.,
Thermal Energy Studies I. Phenyl Derivatives of Methane, Ethane and Some Related Compounds,
J. Am. Chem. Soc., 1931, 53, 3644. [all data]
Moureu and Andre, 1914
Moureu, C.; Andre, E.,
Thermochemistry of Acetylenic Compounds,
Ann. Chim. (Paris), 1914, 1, 113. [all data]
Bruhl, 1886
Bruhl, J.W.,
Investigation of Molar Refraction of ORganic Liquids from Light Scattering Measurements,
Justus Liebigs Ann. Chem., 1886, 235, 1. [all data]
Lebedev, Bykova, et al., 1982
Lebedev, B.V.; Bykova, T.A.; Smirnova, N.N.; Kulagina, T.G.,
Zh. Obshch. Khim., 1982, 52, 2630. [all data]
Steele, Chirico, et al., 2002
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Measurements of Vapor Pressure, Heat Capacity, and Density along the Saturation Line for γ-Caprolactam, Pyrazine, 1,2-Propanediol, Triethylene Glycol, Phenyl Acetylene, and Diphenyl Acetylene,
J. Chem. Eng. Data, 2002, 47, 4, 689-699, https://doi.org/10.1021/je010085z
. [all data]
Chickos, Hyman, et al., 1981
Chickos, James S.; Hyman, Arthur S.; Ladon, Liina H.; Liebman, Joel F.,
Measurement and estimation of the heats of vaporization of hydrocarbons,
J. Org. Chem., 1981, 46, 21, 4294-4296, https://doi.org/10.1021/jo00334a040
. [all data]
Lebedev, Bykova, et al., 1982, 2
Lebedev, B.V.; Bykova, T.A.; Smirnova, N.N.; Kulagina, T.G.,
Thermodynmics of phenylacetylene, its cyclotrimerization, and the resulting 1,3,5-triphenylbenzene at 0-480 K,
Zhur. Obshch. Khim., 1982, 52, 2630-2636. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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