Benzene, 1-ethenyl-3-methyl-
- Formula: C9H10
- Molecular weight: 118.1757
- IUPAC Standard InChIKey: JZHGRUMIRATHIU-UHFFFAOYSA-N
- CAS Registry Number: 100-80-1
- 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, m-methyl-; m-Methylstyrene; m-Vinyltoluene; 1-Methyl-3-vinylbenzene; 3-Methylstyrene; 3-Vinyltoluene
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Gas phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.1 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. |
13.9 | 100. | ||
17.6 | 150. | ||
22.4 | 200. | ||
30.57 | 273.15 | ||
33.41 | 298.15 | ||
33.63 | 300. | ||
44.43 | 400. | ||
53.59 | 500. | ||
61.04 | 600. | ||
67.14 | 700. | ||
72.20 | 800. | ||
76.48 | 900. | ||
80.09 | 1000. | ||
83.2 | 1100. | ||
85.8 | 1200. | ||
88.2 | 1300. | ||
90.1 | 1400. | ||
91.8 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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 | 443.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 444.8 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 442.65 | K | N/A | Levi and Nicholls, 1958 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 437.15 | K | N/A | Muller, 1887 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 186.81 | K | N/A | Clements, Wise, et al., 1953 | Uncertainty assigned by TRC = 0.16 K; TRC |
Tfus | 203. | K | N/A | Buck, Coles, et al., 1949 | Uncertainty assigned by TRC = 6. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 250.78 | K | N/A | Lebedev and Rabinovich, 1971 | Uncertainty assigned by TRC = 0.02 K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
334.7 | 0.024 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.4 | 329. | A | Stephenson and Malanowski, 1987 | Based on data from 314. to 385. K. See also Clements, Wise, et al., 1953, 2.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
340.8 to 442.3 | 4.21203 | 1584.496 | -66.922 | Buck, Coles, et al., 1949, 2 | Coefficents calculated by NIST from author's data. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, 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
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. |
---|---|
NIST MS number | 2023 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, 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.
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Levi and Nicholls, 1958
Levi, L.; Nicholls, R.V.V.,
Formation of Styrene by Pyrolysis of Aromatic Heterocyclic Aldehyde- Aliphatic Acid Anhydride Mixtures on Morden Bentonite,
Ind. Eng. Chem., 1958, 50, 1005. [all data]
Muller, 1887
Muller, W.,
Chem. Ber., 1887, 20, 1212. [all data]
Clements, Wise, et al., 1953
Clements, H.E.; Wise, K.V.; Johnson, S.E.J.,
Physical Properties of o-, m-, and p-Methylstyrene,
J. Am. Chem. Soc., 1953, 75, 1593. [all data]
Buck, Coles, et al., 1949
Buck, F.R.; Coles, K.F.; Kennedy, G.T.; Morton, F.,
Some Nuclear-methylated Styrenes and Related Compounds,
J. Chem. Soc., 1949, 1949, 2377-83. [all data]
Lebedev and Rabinovich, 1971
Lebedev, B.V.; Rabinovich, I.B.,
Heat capacities and thermodynamic functions of a-methylstyrene and poly(a-methylstyrene),
Tr. Khim. Khim. Tekhnol., 1971, 1, 12-15. [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]
Clements, Wise, et al., 1953, 2
Clements, H.E.; Wise, K.V.; Johnsen, S.E.J.,
Physical properties of o-, m- and p-methylstyrene,
J. Am. Chem. Soc., 1953, 75, 1593-1595. [all data]
Buck, Coles, et al., 1949, 2
Buck, F.R.; Coles, K.F.; Kennedy, G.T.; Morton, F.,
Some Nuclear-methylated Styrenes and Related Compounds,
J. Chem. Soc., 1949, 2377-2383, https://doi.org/10.1039/jr9490002377
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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