Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl
- Formula: C13H20O2
- Molecular weight: 208.2967
- IUPAC Standard InChIKey: BIISIZOQPWZPPS-UHFFFAOYSA-N
- CAS Registry Number: 3457-61-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: tert-Butyl α,α-dimethylbenzyl peroxide; Peroxide, tert-butyl α,α-dimethylbenzyl; tert-Butyl cumene peroxide; tert-Butyl cumyl peroxide; Cumyl tert-butyl peroxide; Kayabutyl C; Trigonox T; 1,1-Dimethylethyl 1-methyl-1-phenylethyl peroxide; Luperco 801-XL; t-Butyl cumyl peroxide; Luperox 801
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Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -62.9 ± 1.4 | kcal/mol | Ccb | Van-Chin-Syan, Dolbneva, et al., 1984 | see Dolbneva, Dikii, et al., 1984 |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1842.9 ± 1.4 | kcal/mol | Ccb | Van-Chin-Syan, Dolbneva, et al., 1984 | see Dolbneva, Dikii, et al., 1984; Corresponding ΔfHºliquid = -62.95 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.5 ± 0.33 | 294. | V | Van-Chin-Syan, Dolbneva, et al., 1984 | see Dolbneva, Dikii, et al., 1984 |
IR Spectrum
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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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Additional Data
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Owner | SRD/NIST Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | EPA-IR VAPOR PHASE LIBRARY |
State | gas |
Mass spectrum (electron ionization)
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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
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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 | NIST Mass Spectrometry Data Center |
NIST MS number | 342563 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Van-Chin-Syan, Dolbneva, et al., 1984
Van-Chin-Syan, Yu.Ya.; Dolbneva, T.N.; Dikii, M.A.; Cuchmarev, S.K.,
Thermochemistry of derivatives of isopropylbenzene and p-diisopropylbenzene,
Russ. J. Phys. Chem. (Engl. Transl.), 1984, 58, 1783-1785. [all data]
Dolbneva, Dikii, et al., 1984
Dolbneva, T.N.; Dikii, M.A.; Wang, C.H.; Gevus, O.I.,
Thermodynamic properties of derivatives of diisopropylbenzene, Deposited Document, SPSTL 293 Khp-D82. Chem. Abst. 101:22824c, 1984, 1-6. [all data]
Notes
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- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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