Benzene, 1,2,4,5-tetrakis(1-methylethyl)-
- Formula: C18H30
- Molecular weight: 246.4308
- IUPAC Standard InChI: InChI=1S/C18H30/c1-11(2)15-9-17(13(5)6)18(14(7)8)10-16(15)12(3)4/h9-14H,1-8H3
- IUPAC Standard InChIKey: ROXLYQQDLJJEBE-UHFFFAOYSA-N
- CAS Registry Number: 635-11-0
- 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: Benzene, 1,2,4,5-tetraisopropyl-; 1,2,4,5-Tetraisopropylbenzene; Tetraisopropylbenzene
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Phase change data
Go To: Top, 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 |
|---|---|---|---|---|---|
| Tfus | 412. | K | N/A | Ipatieff, Corson, et al., 1936 | Uncertainty assigned by TRC = 1.5 K; TRC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 488.7 | 0.092 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.6 ± 0.07 | 420. | EB | Steele, Chirico, et al., 2002 | Based on data from 410. - 575. K.; AC |
| 13.6 ± 0.07 | 460. | EB | Steele, Chirico, et al., 2002 | Based on data from 410. - 575. K.; AC |
| 12.5 ± 0.1 | 500. | EB | Steele, Chirico, et al., 2002 | Based on data from 410. - 575. K.; AC |
| 11.4 ± 0.2 | 540. | EB | Steele, Chirico, et al., 2002 | Based on data from 410. - 575. K.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 4.68 | 393. | Steele, Chirico, et al., 2002 | AC |
IR Spectrum
Go To: Top, 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: Coblentz Society, Inc.
Spectrum
A digitized version of this spectrum is not currently available.
Additional Data
View scan of original (hardcopy) spectrum.
| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Source reference | COBLENTZ NO. 1099 |
| Date | Not specified, most likely prior to 1970 |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Data processing | (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE) |
Mass spectrum (electron ionization)
Go To: Top, 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. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-IW-2480 |
| NIST MS number | 243443 |
References
Go To: Top, 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.
Ipatieff, Corson, et al., 1936
Ipatieff, V.N.; Corson, B.B.; Pines, H.,
Influence of Sulfuric Acid Concentration upon Reaction between Olefins and Benzene,
J. Am. Chem. Soc., 1936, 58, 919-22. [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]
Steele, Chirico, et al., 2002
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A.,
Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for 1,4-Diisopropylbenzene, 1,2,4,5-Tetraisopropylbenzene, Cyclohexanone Oxime, Dimethyl Malonate, Glutaric Acid, and Pimelic Acid,
J. Chem. Eng. Data, 2002, 47, 4, 725-739, https://doi.org/10.1021/je010088b
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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