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Phenol, 4-butyl-

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Phase change data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Tboil519. ± 6.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus293.65KN/ABader, 1957Uncertainty assigned by TRC = 2. K; TRC
Tfus295.15KN/AKarr, 1957Uncertainty assigned by TRC = 2. K; TRC
Tfus295.15KN/AWhite, 1954Uncertainty assigned by TRC = 2. K; TRC
Tfus285.15KN/ACoulthard, Marshall, et al., 1930Uncertainty assigned by TRC = 1. K; TRC
Tfus295.15KN/ASandulesco and Girard, 1930Uncertainty assigned by TRC = 2. K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
398.70.015Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
61.7410.AStephenson and Malanowski, 1987Based on data from 395. - 653. K.; AC
57.6373.N/AStage, Müller, et al., 1953Based on data from 357. - 529. K.; AC
56.6398.N/AStage, Müller, et al., 1953Based on data from 357. - 529. K.; AC
54.4423.N/AStage, Müller, et al., 1953Based on data from 357. - 529. K.; AC
49.9473.N/AStage, Müller, et al., 1953Based on data from 357. - 529. 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, Mass spectrum (electron ionization), 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
8.7 ± 0.1EILightner, Majeti, et al., 1972

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7O+11.5 ± 0.1?EILightner, Majeti, et al., 1972 
C7H8O+10.3 ± 0.1CH2=CHCH3EILightner, Majeti, et al., 1972 

Mass spectrum (electron ionization)

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

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 Japan AIST/NIMC Database- Spectrum MS-NW-4015
NIST MS number 232308

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Gas Chromatography

Go To: Top, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPS-255150.1335.Engewald, Billing, et al., 198850. m/0.30 mm/0.25 «mu»m

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryVF-5MS1360.6Mjøs, Meier, et al., 200650. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 30C/min => 100C => 1C/min =>
CapillaryVF-5MS1361.8Mjøs, Meier, et al., 200650. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 30C/min => 100C => 2C/min =>
CapillaryVF-5MS1364.4Mjøs, Meier, et al., 200650. m/0.25 mm/0.25 «mu»m, He; Program: 60C(2min) => 30C/min => 100C => 4C/min =>

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51386.Czerny, Brueckner, et al., 201130. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 8. K/min, 250. C @ 5. min

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-FFAP2360.Czerny, Brueckner, et al., 201130. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 8. K/min, 230. C @ 5. min

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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]

Engewald, Billing, et al., 1988
Engewald, W.; Billing, U.; Topalova, I.; Petsev, N., Structure-retention correlations of alkylphenols in gas-liquid and gas-solid chromatography, J. Chromatogr., 1988, 446, 71-77, https://doi.org/10.1016/S0021-9673(00)94419-4 . [all data]

Mjøs, Meier, et al., 2006
Mjøs, S.A.; Meier, S.; Boitsov, S., Alkylphenol retention indices, J. Chromatogr. A, 2006, 1123, 1, 98-105, https://doi.org/10.1016/j.chroma.2006.05.002 . [all data]

Czerny, Brueckner, et al., 2011
Czerny, M.; Brueckner, R.; Kirchoff, E.; Schmitt, R.; Buettner, A., The influence of molecular structure on odor qualities and odor detection thresholds of volatile alkylated phenols, Chem. Senses, 2011, 1-15, retrieved from http://chemie.oxfordjournals.org. [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References