3-Butylphenol
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChIKey: MQSXUKPGWMJYBT-UHFFFAOYSA-N
- CAS Registry Number: 4074-43-5
- 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, 3-butyl-
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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 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 | 521.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 521.15 | K | N/A | Karr, 1957 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 521.15 | K | N/A | Pardee and Weinrich, 1944 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 521.15 | K | N/A | Read and Miller, 1932 | Uncertainty assigned by TRC = 3. K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
62.5 | 411. | A | Stephenson and Malanowski, 1987 | Based on data from 396. to 533. K.; AC |
56.6 | 398. | N/A | Stage, Müller, et al., 1953 | Based on data from 396. to 533. K.; AC |
54.4 | 423. | N/A | Stage, Müller, et al., 1953 | Based on data from 396. to 533. K.; AC |
49.9 | 473. | N/A | Stage, Müller, et al., 1953 | Based on data from 396. to 533. K.; AC |
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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.9 ± 0.1 | EI | Lightner, Majeti, et al., 1972 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C7H7O+ | 12.8 ± 0.1 | ? | EI | Lightner, Majeti, et al., 1972 | |
C7H8O+ | 11.1 ± 0.1 | CH2=CHCH3 | EI | Lightner, Majeti, et al., 1972 |
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.
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]
Karr, 1957
Karr, C.,
, U. S. Bur. Mines, Inform. Circ. IC 7802, 1957. [all data]
Pardee and Weinrich, 1944
Pardee, W.A.; Weinrich, W.,
Physical properties of alkylated phenols,
Ind. Eng. Chem., 1944, 36, 595. [all data]
Read and Miller, 1932
Read, R.R.; Miller, E.,
J. Am. Chem. Soc., 1932, 54, 1195. [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, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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