Benzene, (1-methylenepropyl)-
- Formula: C10H12
- Molecular weight: 132.2023
- IUPAC Standard InChIKey: SQHOHKQMTHROSF-UHFFFAOYSA-N
- CAS Registry Number: 2039-93-2
- 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: Styrene, α-ethyl-; α-Ethylstyrene; 1-Butene, 2-phenyl-; 2-Phenyl-1-butene
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Phase change data
Go To: Top, Gas Chromatography, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 455.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 453. | K | N/A | Adam, Baeza, et al., 1972 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 452.65 | K | N/A | Searles, Nickerson, et al., 1959 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 454.15 | K | N/A | Overberger and Tanner, 1955 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 455.15 | K | N/A | Cram, 1952 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 51.8 ± 0.3 | kJ/mol | GS | Verevkin and Ebenhoch, 1999 | Based on data from 274. to 313. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
52.0 ± 0.3 | 294. | GS | Verevkin and Ebenhoch, 1999 | Based on data from 274. to 313. K.; AC |
Gas Chromatography
Go To: Top, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-30 | 65. | 1058.4 | Svob, Deur-Siftar, et al., 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | SE-30 | 65. | 1058.4 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 1058. | Mandelshtam, Kharicheva, et al., 1991 | Helium, 50. C @ 0. min, 3. K/min, 220. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1037. | Hathcock and Bertsch, 1993 | 100. m/0.25 mm/0.5 μm; Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, 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]
Adam, Baeza, et al., 1972
Adam, W.; Baeza, J.; Liu, J.-C.,
Stereospecific Introduction o f Double Bonds via Thermolysis of β-Lactones,
J. Am. Chem. Soc., 1972, 94, 2000. [all data]
Searles, Nickerson, et al., 1959
Searles, S.; Nickerson, R.G.; Witsiepe, W.K.,
Oxetanes. IX. Structural and Solvent Effects in the Reaction of γ-Bromo Alcohols with Base,
J. Org. Chem., 1959, 24, 1839. [all data]
Overberger and Tanner, 1955
Overberger, C.G.; Tanner, D.,
Ionic Polymerization. A Convenient Synthesis of a.pha.- and β- Alkylstyrenes. THe Effect of an α-Alkyl Group on the Ultraviolet Absorption Spectra,
J. Am. Chem. Soc., 1955, 77, 369. [all data]
Cram, 1952
Cram, D.J.,
Studies in Stereochemistry VI. The Mechanisms of the E1 and Hydrogen Migration Reactions in the 3-Phenyl-2-butanol System,
J. Am. Chem. Soc., 1952, 74, 2137. [all data]
Verevkin and Ebenhoch, 1999
Verevkin, Sergey P.; Ebenhoch, Jochen,
Structural Chemistry, 1999, 10, 6, 401-409, https://doi.org/10.1023/A:1022470804409
. [all data]
Svob, Deur-Siftar, et al., 1974
Svob, V.; Deur-Siftar, D.; Cramers, C.A.,
Mechanisms of the thermal degradation of alkylbenzenes,
J. Chromatogr., 1974, 91, 659-675, https://doi.org/10.1016/S0021-9673(01)97946-4
. [all data]
Svob and Deur-Siftar, 1974
Svob, V.; Deur-Siftar, D.,
Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products,
J. Chromatogr., 1974, 91, 677-689, https://doi.org/10.1016/S0021-9673(01)97947-6
. [all data]
Mandelshtam, Kharicheva, et al., 1991
Mandelshtam, T.V.; Kharicheva, E.M.; Gorobets, I.A.; Zenkevich, I.G.; Kostikov, R.R.; Porokhovnikova, E.B.,
Synthesis and Chromato Mass Spectrometric Investigation of alpha-Alkoxystyrenes,
Zh. Org. Khim. (Rus.), 1991, 27, 4, 684-690. [all data]
Hathcock and Bertsch, 1993
Hathcock, S.; Bertsch, W.,
Analysis of volatiles associated with industrial scale processing of expanded polystyrene. Part II: Identification and quantitation,
J. Hi. Res. Chromatogr., 1993, 16, 11, 651-659, https://doi.org/10.1002/jhrc.1240161106
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point 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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