Phenol, 4-butyl-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChIKey: CYYZDBDROVLTJU-UHFFFAOYSA-N
- CAS Registry Number: 1638-22-8
- 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: Phenol, p-butyl-; p-Butylphenol; p-Hydroxybutylbenzene; 4-Butylphenol; 4-n-Butylphenol; p-n-Butylphenol; 1-Hydroxy-4-n-butylbenzene; 1-(p-Hydroxyphenyl)butane; NSC 407848
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Phase change data
Go To: Top, Gas phase ion energetics 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 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 | 519. ± 6. | K | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 293.65 | K | N/A | Bader, 1957 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 295.15 | K | N/A | Karr, 1957 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 295.15 | K | N/A | White, 1954 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 285.15 | K | N/A | Coulthard, Marshall, et al., 1930 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 295.15 | K | N/A | Sandulesco and Girard, 1930 | Uncertainty assigned by TRC = 2. K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
398.7 | 0.015 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
61.7 | 410. | A | Stephenson and Malanowski, 1987 | Based on data from 395. to 653. K.; AC |
57.6 | 373. | N/A | Stage, Müller, et al., 1953 | Based on data from 357. to 529. K.; AC |
56.6 | 398. | N/A | Stage, Müller, et al., 1953 | Based on data from 357. to 529. K.; AC |
54.4 | 423. | N/A | Stage, Müller, et al., 1953 | Based on data from 357. to 529. K.; AC |
49.9 | 473. | N/A | Stage, Müller, et al., 1953 | Based on data from 357. to 529. K.; AC |
Gas phase ion energetics data
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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.7 ± 0.1 | EI | Lightner, Majeti, et al., 1972 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C7H7O+ | 11.5 ± 0.1 | ? | EI | Lightner, Majeti, et al., 1972 | |
C7H8O+ | 10.3 ± 0.1 | CH2=CHCH3 | EI | Lightner, Majeti, et al., 1972 |
Mass spectrum (electron ionization)
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
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-NW-4015 |
NIST MS number | 232308 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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.
Bader, 1957
Bader, A.R.,
J. Am. Chem. Soc., 1957, 79, 6164. [all data]
Karr, 1957
Karr, C.,
, U. S. Bur. Mines, Inform. Circ. IC 7802, 1957. [all data]
White, 1954
White, E.N.,
5th Tar Conf. Coal Tar Res. Assoc. Rept. 0124, 1954, England, 1954. [all data]
Coulthard, Marshall, et al., 1930
Coulthard, C.E.; Marshall, J.; Pyman, F.L.,
The Variation of Phenol Coefficients in a Homologous Series of Phenols,
J. Chem. Soc., 1930, 1930, 280. [all data]
Sandulesco and Girard, 1930
Sandulesco, G.; Girard, A.,
The synthesis of aromatic hydroxy ketones: 1. o-and p-acylphenols with normal c(4) to c(9) chains.,
Bull. Soc. Chim. Fr., 1930, 47, 1300-14. [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]
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]
Stage, Müller, et al., 1953
Stage, H.; Müller, E.; Faldix, P.,
Erdol u Kohle, 1953, 6, 375. [all data]
Lightner, Majeti, et al., 1972
Lightner, D.A.; Majeti, S.; Nicoletti, R.; Thommen, E.,
Benzyl vs. tropylium ions in the electron impact induced decomposition of n- butylbenzenes,
Intra-Sci. Chem. Rep., 1972, 6, 113. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy 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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