Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

3-Butylphenol

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil521.2KN/AWeast and Grasselli, 1989BS
Tboil521.15KN/AKarr, 1957Uncertainty assigned by TRC = 3. K; TRC
Tboil521.15KN/APardee and Weinrich, 1944Uncertainty assigned by TRC = 2. K; TRC
Tboil521.15KN/ARead and Miller, 1932Uncertainty assigned by TRC = 3. K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
62.5411.AStephenson and Malanowski, 1987Based on data from 396. - 533. K.; AC
56.6398.N/AStage, Müller, et al., 1953Based on data from 396. - 533. K.; AC
54.4423.N/AStage, Müller, et al., 1953Based on data from 396. - 533. K.; AC
49.9473.N/AStage, Müller, et al., 1953Based on data from 396. - 533. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, 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 ± 0.1EILightner, Majeti, et al., 1972

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7O+12.8 ± 0.1?EILightner, Majeti, et al., 1972 
C7H8O+11.1 ± 0.1CH2=CHCH3EILightner, Majeti, et al., 1972 

IR Spectrum

Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, 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

Gas Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics 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

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySE-301302.Medvedovskaya, Tikhomirova, et al., 19977. K/min; Tstart: 50. C; Tend: 320. C

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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]

Medvedovskaya, Tikhomirova, et al., 1997
Medvedovskaya, I.I.; Tikhomirova, S.V.; Krasavina, T.D.; Gubkina, L.N., Comparison of results of chromatographic identification of complex mixtures of organic compounds, Proc. Omsk. Univ., 1997, 4, 34-36. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References