Benzene, 1-(1,1-dimethylethyl)-4-methoxy-
- Formula: C11H16O
- Molecular weight: 164.2441
- IUPAC Standard InChI: InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3
- IUPAC Standard InChIKey: MCUPBIBNSTXCPQ-UHFFFAOYSA-N
- CAS Registry Number: 5396-38-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Anisole, p-tert-butyl-; p-tert-Butylanisole; p-Methoxy-tert-butylbenzene; 4-tert-Butylanisole; Benzene, 1-methoxy-4-t-butyl; 4-tert-Butylphenyl methyl ether
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Phase change data
Go To: Top, 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 496.4 | K | N/A | Olson, Hipsher, et al., 1947 | Uncertainty assigned by TRC = 0.5 K |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 292.29 | K | N/A | Olson, Hipsher, et al., 1947 | Uncertainty assigned by TRC = 0.2 K |
Gas phase ion energetics data
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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C11H16O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.77 ± 0.02 | EI | Orlov, Misharev, et al., 1986 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C10H13O+ | 9.5 ± 0.1 | CH3 | EI | Orlov, Misharev, et al., 1986 | LBLHLM |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Olson, Hipsher, et al., 1947
Olson, W.T.; Hipsher, H.F.; Buess, C.M.; Goodman, I.A.; Hart, I.; Lamneck, J.H.; Gibbons, L.C.,
The Synthesis and Purification of Ethers,
J. Am. Chem. Soc., 1947, 69, 2451-4. [all data]
Orlov, Misharev, et al., 1986
Orlov, V.; Misharev, A.; Takhistox, V.,
Determination of the enthalpy of formation of para-substituted α,α-dimethyl cations in the gas phase,
Izv. Akad. Nauk SSSR Ser. Khim., 1986, 9, 2006. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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