(Z)-1-Phenylpropene
- Formula: C9H10
- Molecular weight: 118.1757
- IUPAC Standard InChIKey: QROGIFZRVHSFLM-KXFIGUGUSA-N
- CAS Registry Number: 766-90-5
- 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. - Stereoisomers:
- Other names: cis-β-Methylstyrene; cis-Propenylbenzene; cis-1-Phenyl-1-propene; cis-1-Phenylpropene; cis-1-Propenylbenzene; Benzene, propenyl-, (Z)-; Benzene, 1-propenyl-, (Z)-; 1-Phenyl-1-propene, cis-; Benzene, propen-1-yl-, (Z)-; Benzene, (1Z)-1-propenyl-; (Z)-1-Propenylbenzene
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Phase change data
Go To: Top, Gas phase ion energetics data, 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:
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 | 440.58 | K | N/A | Anonymous, 1953 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 441.65 | K | N/A | Mixer, Heck, et al., 1953 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 203.4 | K | N/A | Park and Wright, 1954 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 211.23 | K | N/A | Anonymous, 1953 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 211.47 | K | N/A | Anonymous, 1953 | Uncertainty assigned by TRC = 0.15 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
44.8 | 363. | A | Stephenson and Malanowski, 1987 | Based on data from 348. to 498. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C9H10+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 836.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 807.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.15 | PE | Kobayashi, Arai, et al., 1981 | LLK |
8.15 | PE | Fu and Dunbar, 1978 | LLK |
8.45 | PE | Salisbury, 1974 | LLK |
8.48 | PE | Kobayashi, Arai, et al., 1981 | Vertical value; LLK |
8.28 | PE | Fu and Dunbar, 1978 | Vertical value; LLK |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics 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 | HP-1 | 60. | 973. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 973. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 984. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
Capillary | SE-30 | 70. | 975.3 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 70. | 1324.3 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polymethylsiloxane, (PMS-20000) | 975. | Cornwell and Cordano, 2003 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1324. | Cornwell and Cordano, 2003 | Program: not specified |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 155. | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Anonymous, 1953
Anonymous, R.,
, Physical Properties of Chemical Substances, Dow Chemical Company, 1953. [all data]
Mixer, Heck, et al., 1953
Mixer, R.Y.; Heck, R.F.; Winstein, S.; Young, W.G.,
cis- and trans-Propenylbenzene and Their Azeotropes with n-Decane,
J. Am. Chem. Soc., 1953, 75, 4094. [all data]
Park and Wright, 1954
Park, W.R.R.; Wright, G.F.,
J. Org. Chem., 1954, 19, 1435. [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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Kobayashi, Arai, et al., 1981
Kobayashi, T.; Arai, T.; Sakuragi, H.; Tokumaru, K.; Utsunomiya, C.,
A new nethod for conformational analysis by photoelectron spectroscopy with application to alkyl-substituted styrenes,
Bull. Chem. Soc. Jpn., 1981, 54, 1658. [all data]
Fu and Dunbar, 1978
Fu, E.W.; Dunbar, R.C.,
Photodissociation spectroscopy and structural rearrangements in ions of cyclooctatetraene, styrene and related molecules,
J. Am. Chem. Soc., 1978, 100, 2283. [all data]
Salisbury, 1974
Salisbury, K.,
Quenching of the fluorescence of styrenes by ground state oxygen,
J. Photochem., 1974, 2, 401. [all data]
Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J.,
Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions,
Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894
. [all data]
Engewald, Topalova, et al., 1987
Engewald, W.; Topalova, I.; Petsev, N.; Dimitrov, Chr.,
Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes,
Chromatographia, 1987, 23, 8, 561-565, https://doi.org/10.1007/BF02324864
. [all data]
Tóth, 1983
Tóth, T.,
Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures,
J. Chromatogr., 1983, 279, 157-165, https://doi.org/10.1016/S0021-9673(01)93614-3
. [all data]
Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G.,
Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas,
Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [all data]
Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I.,
Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants,
J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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