Phenol, 3-methyl-

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Gas phase thermochemistry data

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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-31.94 ± 0.26kcal/molCcbCox, 1961ALS
Δfgas-31.63 ± 0.26kcal/molCcbAndon, Biddiscombe, et al., 1960ALS
Δfgas-28.04kcal/molN/APushin, 1954Value computed using ΔfHliquid° value of -177.0 kj/mol from Pushin, 1954 and ΔvapH° value of 59.7 kj/mol from Cox, 1961.; DRB
Δfgas-31.98kcal/molN/ABadoche, 1941Value computed using ΔfHliquid° value of -193.5 kj/mol from Badoche, 1941 and ΔvapH° value of 59.7 kj/mol from Cox, 1961.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.24750.Kudchadker S.A., 1978Selected entropies and heat capacities are in close agreement with statistical values calculated by [ Green J.H.S., 1962].; GT
12.13100.
16.15150.
20.55200.
27.421273.15
29.799298.15
29.974300.
38.951400.
46.496500.
52.567600.
57.469700.
61.499800.
64.869900.
67.7201000.
70.1511100.
72.2371200.
74.0371300.
75.5931400.
76.9461500.

Condensed phase thermochemistry data

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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-46.19kcal/molCcbCox, 1961ALS
Δfliquid-46.38 ± 0.26kcal/molCcbAndon, Biddiscombe, et al., 1960ALS
Δfliquid-42.2kcal/molCcbPushin, 1954Author's hf298_condensed=-44.4 kcal/mol; ALS
Δfliquid-46.25kcal/molCcbBadoche, 1941Author's hf298_condensed=-48.97 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-885.44 ± 0.06kcal/molCcbCox, 1961Corresponding Δfliquid = -46.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-885.25 ± 0.14kcal/molCcbAndon, Biddiscombe, et al., 1960Corresponding Δfliquid = -46.37 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-889.4kcal/molCcbPushin, 1954Author's hf298_condensed=-44.4 kcal/mol; Corresponding Δfliquid = -42.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-885.37kcal/molCcbBadoche, 1941Author's hf298_condensed=-48.97 kcal/mol; Corresponding Δfliquid = -46.25 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-883.0kcal/molCcbBarker, 1925Author was aware that data differs from previously reported values; Corresponding Δfliquid = -48.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid50.810cal/mol*KN/AAndon, Counsell, et al., 1967DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
53.760298.15Andon, Counsell, et al., 1967T = 10 to 400 K.; DH
52.8093.Rastorguev and Ganiev, 1967T = 293 to 373 K.; DH
52.29298.Tschamler and Krischai, 1951DH
51.79283.Bramley, 1916Mean value, 0 to 20 C.; DH

Phase change data

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil475.2 ± 0.9KAVGN/AAverage of 18 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus284. ± 4.KAVGN/AAverage of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple285.40KN/AAndon, Counsell, et al., 1967, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc705.8KN/ADelaunois, 1968Uncertainty assigned by TRC = 0.4 K; TRC
Tc705.75KN/AAmbrose, 1963Uncertainty assigned by TRC = 0.45 K; TRC
Tc705.15KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 2. K; TRC
Tc705.0KN/AGuye and Mallet, 1902Uncertainty assigned by TRC = 2.5 K; TRC
Tc705.15KN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 2. K; accomipanied by some decomposition; TRC
Quantity Value Units Method Reference Comment
Pc43.03atmN/ADelaunois, 1968Uncertainty assigned by TRC = 5.807 atm; TRC
Pc45.0000atmN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 3.0000 atm; TRC
Pc45.00atmN/AGuye and Mallet, 1902Uncertainty assigned by TRC = 0.9000 atm; TRC
Pc44.9500atmN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 1.5000 atm; TRC
Pc45.0500atmN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 1.5000 atm; TRC
Quantity Value Units Method Reference Comment
Δvap14. ± 3.kcal/molAVGN/AAverage of 8 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
15.1300.AStephenson and Malanowski, 1987Based on data from 285. - 416. K.; AC
12.6425.AStephenson and Malanowski, 1987Based on data from 410. - 477. K.; AC
11.4486.AStephenson and Malanowski, 1987Based on data from 471. - 531. K.; AC
10.5538.AStephenson and Malanowski, 1987Based on data from 523. - 633. K.; AC
13.1398.GS,EBStephenson and Malanowski, 1987Based on data from 383. - 473. K. See also Andon, Biddiscombe, et al., 1960, 2.; AC
14.5409.GSNasir, Hwang, et al., 1980Based on data from 388. - 429. K. See also Kkykj and Repas, 1973.; AC
14.1374.N/Avon Terres, Gebert, et al., 1955Based on data from 359. - 473. K. See also Boublik, Fried, et al., 1984.; AC
12.1448.N/AGoldblum, Martin, et al., 1947Based on data from 422. - 474. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
422.7 - 474.34.595861833.137-76.414Goldblum, Martin, et al., 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
13.4279.AStephenson and Malanowski, 1987Based on data from 273. - 285. K.; AC
14.7 ± 0.24284. - 313.GSAndon, Biddiscombe, et al., 1960, 2AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
2.175280.75N/AMeva'a and Lichanot, 1990DH
2.250285.0N/APoeti, Fanelli, et al., 1982DH
2.5590285.40N/AAndon, Counsell, et al., 1967DH
2.1282.3DSCRichard, Bernardes, et al., 2007AC
2.550285.3DSCJamróz, Palczewska-Tulinska, et al., 1998AC
2.560285.4N/ADomalski and Hearing, 1996AC
2.2280.8N/AMeva'a and Lichanot, 1990AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
7.6280.75Meva'a and Lichanot, 1990DH
7.894285.0Poeti, Fanelli, et al., 1982DH
6.580285.40Andon, Counsell, et al., 1967DH

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C7H7O- + Hydrogen cation = Phenol, 3-methyl-

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Δr348.2 ± 1.2kcal/molCIDCAngel and Ervin, 2006gas phase; B
Δr349.5 ± 2.1kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr350.7 ± 2.3kcal/molG+TSKebarle and McMahon, 1977gas phase; B
Quantity Value Units Method Reference Comment
Δr342.7 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr343.8 ± 2.0kcal/molIMREKebarle and McMahon, 1977gas phase; B

Bromine anion + Phenol, 3-methyl- = (Bromine anion • Phenol, 3-methyl-)

By formula: Br- + C7H8O = (Br- • C7H8O)

Quantity Value Units Method Reference Comment
Δr20.6 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/APaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10.9 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.9423.PHPMSPaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M

m-Cresyl acetate + Water = Phenol, 3-methyl- + Acetic acid

By formula: C9H10O2 + H2O = C7H8O + C2H4O2

Quantity Value Units Method Reference Comment
Δr-4.39 ± 0.14kcal/molCmSunner, 1957liquid phase; Heat of hydrolysis; ALS

Henry's Law data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
1400. QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 293. K.
620.7700.XN/A 

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C7H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.29 ± 0.02eVN/AN/AL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
201. ± 2.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
193. ± 2.van Beelen, Koblenz, et al., 2004T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.36 ± 0.11EISelim, Fahmey, et al., 1991LL
8.29 ± 0.02SOikawa, Abe, et al., 1985LBLHLM
8.23EIRussell, Freiser, et al., 1983LBLHLM
8.52 ± 0.05EIPignataro, Foffani, et al., 1966RDSH
8.98EICrable and Kearns, 1962RDSH
8.41PEPalmer, Moyes, et al., 1979Vertical value; LLK
8.52PEKobayashi and Nagakura, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+14.60 ± 0.10?EISelim, Fahmey, et al., 1990LL
C6H7+11.37?EIRussell, Freiser, et al., 1983LBLHLM
C7H7+11.28 ± 0.05OHEISelim, Fahmey, et al., 1990LL
C7H7O+11.17HEIRussell, Freiser, et al., 1983LBLHLM
C7H7O+12.3 ± 0.1HEITait, Shannon, et al., 1962RDSH

De-protonation reactions

C7H7O- + Hydrogen cation = Phenol, 3-methyl-

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Δr348.2 ± 1.2kcal/molCIDCAngel and Ervin, 2006gas phase; B
Δr349.5 ± 2.1kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr350.7 ± 2.3kcal/molG+TSKebarle and McMahon, 1977gas phase; B
Quantity Value Units Method Reference Comment
Δr342.7 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr343.8 ± 2.0kcal/molIMREKebarle and McMahon, 1977gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Phenol, 3-methyl- = (Bromine anion • Phenol, 3-methyl-)

By formula: Br- + C7H8O = (Br- • C7H8O)

Quantity Value Units Method Reference Comment
Δr20.6 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/APaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10.9 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.9423.PHPMSPaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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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Mass spectrum
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Additional Data

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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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291279

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lang (editor), 1961
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19729
Instrument Beckman DU
Melting point 10.9

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.1045.Berezkin, Popova, et al., 199730. m/0.25 mm/0.5 μm, He
CapillaryOV-1150.1059.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 μm, N2
CapillaryOV-1150.1052.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 μm, N2
CapillaryOV-1150.1059.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 μm, N2
CapillaryOV-1160.1036.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 μm, N2
CapillaryOV-101150.1028.9Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.1034.5Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryHP-160.1037.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.1037.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1050.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1050.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryPS-255150.1050.Engewald, Billing, et al., 198850. m/0.30 mm/0.25 μm
PackedSE-30150.1065.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedSE-30220.1075.Sellier, Tersac, et al., 1981Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1105.Kartal N., Sokmen M., et al., 200730. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 240. C
CapillaryCBP-11063.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
PackedSE-301065.Grzybowski, Lamparczyk, et al., 1980Chromosorb W HMDS (80-100 mesh); Column length: 2.9 m; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M220.2093.Sellier, Tersac, et al., 1981Column length: 2. m
PackedPEG-2000200.2085.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-202100.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryDB-51077.Baccouri, Ben Temime, et al., 200730. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51084.Högnadóttir and Rouseff, 200330. m/0.32 mm/0.5 μm, 7. K/min, 265. C @ 5. min; Tstart: 40. C
CapillaryDB-11053.1Sun and Stremple, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryOV-11051.7Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-11056.Coen, Engel, et al., 199530. m/0.32 mm/0.25 μm, N2, 3. K/min; Tstart: 150. C; Tend: 280. C
CapillaryDB-11054.Coen, Engel, et al., 199530. m/0.32 mm/0.25 μm, N2, 3. K/min; Tstart: 150. C; Tend: 280. C
CapillaryDB-11065.Gerbino and Castello, 199530. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 10. K/min
CapillaryDB-11068.Gerbino and Castello, 199530. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 5. K/min
CapillaryDB-11051.Kaiser and Siegl, 199460. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; Tend: 180. C
PackedSE-301064.Peng, Ding, et al., 1988He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m
CapillaryDB-51077.Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51070.Escudero, Campo, et al., 2007Program: not specified
CapillaryLM-51073.9Ré-Poppi and Santiago-Silva, 200530. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
Capillary5 % Phenyl methyl siloxane1075.Yasuhara, Shiraishi, et al., 199725. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
CapillaryMethyl Silicone1064.Peng, Yang, et al., 1991Program: not specified

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax2129.Fang and Qian, 200530. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
CapillaryDB-Wax2091.Högnadóttir and Rouseff, 200330. m/0.32 mm/0.5 μm, 7. K/min, 240. C @ 5. min; Tstart: 40. C
CapillarySupelcowax-102097.Chung, Yung, et al., 200260. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax2109.Claudela, Dirningera, et al., 200260. m/0.32 mm/0.5 μm, He, 2.7 K/min, 235. C @ 30. min; Tstart: 67. C
CapillarySupelcowax-102097.Chung, Yung, et al., 200160. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax2067.Escudero and Etiévant, 199930. m/0.32 mm/0.5 μm, H2, 5. K/min; Tstart: 67. C; Tend: 240. C
CapillaryDB-Wax2081.Coen, Engel, et al., 199530. m/0.32 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax2083.Coen, Engel, et al., 199530. m/0.32 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax2109.09Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 10. K/min; Tstart: 100. C
CapillaryDB-Wax2102.63Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 5. K/min; Tstart: 100. C
CapillaryDB-Wax2109.90Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 10. K/min; Tstart: 50. C
CapillaryDB-Wax2100.00Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 5. K/min; Tstart: 50. C
CapillaryDB-Wax2099.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax2081.Umano, Hagi, et al., 1992He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2129.Escudero, Campo, et al., 200730. m/0.32 mm/0.5 μm, H2; Program: 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)
CapillaryDB-Wax2140.Campo, Ferreira, et al., 200530. m/0.32 mm/0.5 μm, H2; Program: 40C(5min) => 4C/min => 100C => 6C/min => 200C
CapillaryDB-Wax2068.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-180.1062.Shimadzu, 2003, 260. m/0.32 mm/1. μm, He

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryTR-11057.Gruzdev, Kuzivanov, et al., 201230. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11057.Gruzdev, Kuzivanov, et al., 2012, 230. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryHP-5 MS1083.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryVF-5 MS1074.Souza, Re-Poppi, et al., 201230. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 6. K/min, 280. C @ 3. min
CapillaryDB-51100.Czerny, Brueckner, et al., 201130. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 250. C @ 5. min
CapillaryDB-5 MS1093.Majcher, Lawrowski, et al., 201025. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 10. K/min; Tend: 250. C
CapillaryZB-51081.Harrison and Priest, 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
CapillaryDB-51075.Fadel, Mageed, et al., 2006He, 60. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C
CapillaryDB-11051.Lee, Lee, et al., 200560. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
CapillaryDB-11055.Lee, Lee, et al., 200560. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
CapillaryDB-11055.Velasco-Negueruela, Pérez-Alonso, et al., 200550. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 90. C; Tend: 240. C
CapillaryHP-51075.Shafi, Nambiar, et al., 200425. m/0.2 mm/0.5 μm, N2, 3. K/min; Tstart: 30. C; Tend: 280. C
CapillaryCross-Linked Methylsilicone1055.Velasco-Negueruela, Pérez-Alonso, et al., 200325. m/0.2 mm/0.33 μm, He, 4. K/min; Tstart: 70. C; Tend: 250. C
CapillarySPB-51075.Pino, Marbot, et al., 200230. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryOV-1011048.Friedrich, Acree, et al., 20016. K/min; Column length: 15. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillaryAT-11090.Kelling, 2001He, 50. C @ 2. min, 10. K/min; Tend: 300. C
CapillarySPB-51071.Poligné, Collignan, et al., 200160. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 200. C
CapillaryBP-11047.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryHP-11048.Ong, Acree, et al., 19984. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillarySE-541091.Kollmannsberger, Nitz, et al., 199230. m/0.25 mm/0.25 μm, Hydrogen, 60. C @ 5. min, 2. K/min, 250. C @ 2. min
CapillaryUltra-11044.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1075.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryVF-5 MS1073.Souza, Re-Poppi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySiloxane, 5 % Ph1066.VOC BinBase, 2012Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1066.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryDB-51070.San-Juan, Petka, et al., 201030. m/0.32 mm/0.50 μm, Hydrogen; Program: 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)
CapillaryDB-11048.Mendes, Trindade, et al., 200930. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
CapillaryZB-51086.de Simon, Estruelas, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
CapillaryNonpolar1068.Staples and Zeiger, 2008Program: not specified
CapillaryNonpolar1068.Staples and Zeiger, 2008Program: not specified
CapillaryNonpolar1075.Staples and Zeiger, 2008Program: not specified
CapillaryHP-5 MS1067.Pyun and Shin, 200630. m/0.25 mm/0.25 μm; Program: 40 0C (3 min) 2 0C/min -> 150 0C 20 0C/min -> 220 0C (5 min)
CapillaryRTX-51065.Ádámová, Orinák, et al., 200530. m/0.25 mm/0.25 μm, N2; Program: not specified
CapillaryDB-51079.Steinhaus and Schieberle, 200530. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C
CapillaryDB-11052.Peng, 199630. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)
CapillaryDB-11057.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillarySE-301065.Peterson, 1992Program: not specified
CapillaryPolydimethyl siloxane, unknown content of Ph-groups1073.Geldon, 1989Program: not specified
CapillaryPolydimethyl siloxane, unknown content of Ph-groups1077.Geldon, 1989Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1065.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-Wax160.2135.Shimadzu, 2003, 250. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-FFAP2077.Czerny, Brueckner, et al., 201130. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 230. C @ 5. min
CapillaryAT-Wax2103.Kiss, Csoka, et al., 201160. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C
CapillaryFFAP2071.Piyachaiseth, Jirapakkul, et al., 201160. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min
CapillaryInnowax2111.Kaypak and Avsar, 200830. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min
CapillarySupelcowax-102080.Vichi, Romero, et al., 200830. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 8. K/min; Tend: 240. C
CapillaryDB-Wax2107.Choi, 200460. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax2115.Culleré, Escudero, et al., 200430. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C
CapillaryDB-Wax2112.López, Ezpeleta, et al., 200460. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C
CapillaryTC-Wax2090.Miyazawa and Okuno, 2003He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryDB-Wax2114.Aznar, López, et al., 200130. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min
CapillaryDB-Wax2116.Ferreira, Aznar, et al., 200130. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min
CapillaryDB-Wax2065.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C
CapillaryCarbowax 20M2088.Lopez, Ferreira, et al., 199960. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 2. K/min; Tend: 190. C
CapillarySupelcowax2060.Näf and Velluz, 1998He, 5. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C
CapillaryHP-Innowax2069.Ong, Acree, et al., 19984. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C
CapillaryTC-Wax2106.Shuichi, Masazumi, et al., 199680. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C
CapillaryCarbowax 20M2068.Kollmannsberger, Nitz, et al., 199245. m/0.32 mm/1.0 μm, Hydrogen, 60. C @ 5. min, 2. K/min; Tend: 200. C
CapillaryCarbowax 20M2090.Seifert and King, 1982He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2091.San-Juan, Petka, et al., 201030. m/0.32 mm/0.50 μm, Hydrogen; Program: 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)
CapillarySupelcowax-102064.de Simon, Estruelas, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
CapillaryDB-Wax2080.Lee, Lee, et al., 200560. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
CapillaryDB-Wax2085.Lee, Lee, et al., 200560. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
CapillaryDB-Wax2083.Steinhaus and Schieberle, 200530. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C
CapillaryDB-Wax2108.Escudero, Gogorza, et al., 2004Program: not specified
CapillaryDB-Wax2059.Peng, 199630. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)
CapillaryDB-Wax2059.Peng, Yang, et al., 1991, 2Program: not specified

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5175.8Wang, Hou, et al., 200730. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min
CapillaryHP-5176.Shao, Wang, et al., 200630. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min
CapillaryDB-5MS175.79Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5MS178.68Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryDB-5175.4Donnelly, Abdel-Hamid, et al., 199330. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min
CapillaryDB-5177.63Rostad and Pereira, 198630. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5171.Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified
CapillaryDB-5175.8Fuentes, Font, et al., 2007Column length: 60. m; Program: not specified
CapillaryMethyl Silicone177.63Eckel, Ross, et al., 1993Program: not specified
CapillaryMethyl Silicone177.95Eckel, Ross, et al., 1993Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cox, 1961
Cox, J.D., The heats of combustion of phenol and the three cresols, Pure Appl. Chem., 1961, 2, 125-128. [all data]

Andon, Biddiscombe, et al., 1960
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols, J. Chem. Soc., 1960, 5246-5254. [all data]

Pushin, 1954
Pushin, N.A., Heats of combustion and heats of formation of isomeric organic compounds, Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]

Badoche, 1941
Badoche, M., No 19. - Chaleurs de combustion du phenol, du-m-cresol et del leurs ethers; par M. Marius BADOCHE., Bull. Soc. Chim. Fr., 1941, 8, 212-220. [all data]

Kudchadker S.A., 1978
Kudchadker S.A., Ideal gas thermodynamic properties of phenol and cresols, J. Phys. Chem. Ref. Data, 1978, 7, 417-423. [all data]

Green J.H.S., 1962
Green J.H.S., Normal frequencies, thermodynamic properties and equilibrium of the cresols, Chem. Ind. (London), 1962, 1575-1576. [all data]

Barker, 1925
Barker, M.F., Calorific value and constitution, J. Phys. Chem., 1925, 29, 1345-1363. [all data]

Andon, Counsell, et al., 1967
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic properties of organic oxygen compounds. Part 17. Low-temperature heat capacity and entropy of the cresols, Trans. Faraday Soc., 1967, 63, 1115-1121. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Tschamler and Krischai, 1951
Tschamler, H.; Krischai, H., Chinolin-m-Kresol, ein stark negatives System, Monatsh. Chem., 1951, 82, 259-270. [all data]

Bramley, 1916
Bramley, A., The study of binary mixtures. Part IV. Heats of reaction and specific heats, J. Chem. Soc. (London), 1916, 109, 496-515. [all data]

Andon, Counsell, et al., 1967, 2
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic Properties of Organic Oxygen Compounds Part 17. Low- temperature Heat Capacity and Entropy of the Cresols, Trans. Faraday Soc., 1967, 63, 1115. [all data]

Delaunois, 1968
Delaunois, C., Effect of the Filling Rate of a Reactor on the Vapor Tension and the Temperature at the Beginning of Cracking of Phenols at High Pressures, Ann. Mines Belg., 1968, No. 1, 9-16. [all data]

Ambrose, 1963
Ambrose, D., Critical Temperatures of Some Phenols and Other Organic Compounds, Trans. Faraday Soc., 1963, 59, 1988. [all data]

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Guye and Mallet, 1902
Guye, P.A.; Mallet, E., Critical Constant and Molecular Complexity of Several Organic Compds., C. R. Hebd. Seances Acad. Sci., 1902, 133, 168. [all data]

Guye and Mallet, 1902, 2
Guye, P.A.; Mallet, E., Measurement of Critical Constants, Arch. Sci. Phys. Nat., 1902, 13, 274-296. [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]

Andon, Biddiscombe, et al., 1960, 2
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F., 1009. Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols, J. Chem. Soc., 1960, 5246, https://doi.org/10.1039/jr9600005246 . [all data]

Nasir, Hwang, et al., 1980
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Kkykj and Repas, 1973
Kkykj, J.; Repas, M., Petrochemia, 1973, 13, 179. [all data]

von Terres, Gebert, et al., 1955
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W., Brennst.-Chem., 1955, 36, 272. [all data]

Boublik, Fried, et al., 1984
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Goldblum, Martin, et al., 1947
Goldblum, K.B.; Martin, R.W.; Young, R.B., Vapor Pressure Data for Phenols, Ind. Eng. Chem., 1947, 39, 11, 1474-1476, https://doi.org/10.1021/ie50455a017 . [all data]

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Meva'a, L.M.; Lichanot, A., Proprietes thermodynamiques en phase condensee des ortho, meta et para fluorotoluene, cresol et toluidine, Thermochim. Acta, 1990, 158, 335-345. [all data]

Poeti, Fanelli, et al., 1982
Poeti, G.; Fanelli, E.; Braghetti, M., A differential scanning calorimetric study of some phenol derivatives, J. Therm. Anal., 1982, 24(2), 273-279. [all data]

Richard, Bernardes, et al., 2007
Richard, Laurence S.; Bernardes, Carlos E.S.; Diogo, Hermínio P.; Leal, João P.; Minas da Piedade, Manuel E., Energetics of Cresols and of Methylphenoxyl Radicals, J. Phys. Chem. A, 2007, 111, 35, 8741-8748, https://doi.org/10.1021/jp073515m . [all data]

Jamróz, Palczewska-Tulinska, et al., 1998
Jamróz, Malgorzata E.; Palczewska-Tulinska, Marcela; Wyrzykowska-Stankiewicz, Danuta; Szafranski, Andrzej M.; Polaczek, Jerzy; Dobrowolski, Jan Cz.; Jamróz, Michal H.; Mazurek, Aleksander P., The urea--phenol(s) systems, Fluid Phase Equilibria, 1998, 152, 2, 307-326, https://doi.org/10.1016/S0378-3812(98)90206-0 . [all data]

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Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Angel and Ervin, 2006
Angel, L.A.; Ervin, K.M., Gas-phase acidities and O-H bond dissociation enthalpies of phenol, 3-methylphenol, 2,4,6-trimethylphenol, and ethanoic acid, J. Phys. Chem. A, 2006, 110, 35, 10392-10403, https://doi.org/10.1021/jp0627426 . [all data]

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Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]

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Kebarle, P.; McMahon, T.B., Intrinsic Acidities of Substituted Phenols and Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria, J. Am. Chem. Soc., 1977, 99, 7, 2222, https://doi.org/10.1021/ja00449a032 . [all data]

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Notes

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