Phenol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:
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-23.03 ± 0.14kcal/molCcbCox, 1961ALS
Δfgas-23.05 ± 0.15kcal/molCcbAndon, Biddiscombe, et al., 1960ALS
Δfgas-22.5kcal/molN/AParks, Manchester, et al., 1954Value computed using ΔfHsolid° value of -162.8±1.0 kj/mol from Parks, Manchester, et al., 1954 and ΔsubH° value of 68.6 kj/mol from Cox, 1961.; DRB
Δfgas-22.8kcal/molN/ABadoche, 1941Value computed using ΔfHsolid° value of -163.9 kj/mol from Badoche, 1941 and ΔsubH° value of 68.6 kj/mol from Cox, 1961.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
8.10550.Kudchadker S.A., 1978Recommended S(T) and Cp(T) values are in close agreement with statistical values calculated by [ Evans J.C., 1960, Green J.H.S., 1961]. Entropy value calculated by [ Sarin V.N., 1973] agrees well with the third-law entropy at 298.15 K but not at 400 K. Statistical values calculated by [ Ramaswamy V., 1970] seem to be erroneous.; GT
9.890100.
12.95150.
16.65200.
22.61273.15
24.670298.15
24.823300.
32.455400.
38.697500.
43.614600.
47.524700.
50.703800.
53.344900.
55.5661000.
57.4591100.
59.0821200.
60.4831300.
61.6921400.
62.7441500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:
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
Δfsolid-39.44kcal/molCcbCox, 1961ALS
Δfsolid-39.46 ± 0.30kcal/molCcbAndon, Biddiscombe, et al., 1960ALS
Δfsolid-38.90 ± 0.25kcal/molCcbParks, Manchester, et al., 1954ALS
Δfsolid-39.18kcal/molCcbBadoche, 1941Author's hf298_condensed=-41.49 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-731. ± 3.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
solid,1 bar34.419cal/mol*KN/AAndon, Counsell, et al., 1963DH
solid,1 bar34.11cal/mol*KN/AParks, Huffman, et al., 1933Extrapolation below 90 K, 49.04 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
30.404298.15Nichols and Wads, 1975DH
47.75313.Rastorguev and Ganiev, 1967T = 313 to 373 K.; DH
30.459298.15Andon, Counsell, et al., 1963T = 13 to 336 K.; DH
22.4293.Campbell and Campbell, 1940DH
24.81229.3Aoyama and Kanda, 1935T = 78 to 229 K. Value is unsmoothed experimental datum.; DH
31.809295.8Parks, Huffman, et al., 1933T = 93 to 296 K. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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:
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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil455.0 ± 0.6KAVGN/AAverage of 25 out of 27 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus314. ± 1.KAVGN/AAverage of 60 out of 61 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple314.06KN/AAndon, Counsell, et al., 1963, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Tc694.3KN/ADelaunois, 1968Uncertainty assigned by TRC = 0.4 K; TRC
Tc694.25KN/AAmbrose, 1963Uncertainty assigned by TRC = 0.15 K; TRC
Tc692.4KN/ARadice, 1899Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc58.52atmN/ADelaunois, 1968Uncertainty assigned by TRC = 0.7742 atm; TRC
Pc60.5000atmN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.8000 atm; TRC
Quantity Value Units Method Reference Comment
Δvap14.1kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 393. to 433. K.; AC
Quantity Value Units Method Reference Comment
Δsub16.7 ± 0.2kcal/molMEParsons, Rochester, et al., 1971Based on data from 230. to 273. K.; AC
Δsub16.4kcal/molN/ACox, 1961DRB
Δsub16.41 ± 0.12kcal/molVAndon, Biddiscombe, et al., 1960ALS
Δsub16.4kcal/molN/AAndon, Biddiscombe, et al., 1960DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.7378.EBChylinski, Fras, et al., 2001Based on data from 363. to 391. K.; AC
11.8470.AStephenson and Malanowski, 1987Based on data from 455. to 655. K.; AC
13.7329.AStephenson and Malanowski, 1987Based on data from 314. to 395. K.; AC
12.2402.AStephenson and Malanowski, 1987Based on data from 387. to 456. K.; AC
11.2464.AStephenson and Malanowski, 1987Based on data from 449. to 526. K.; AC
10.5535.AStephenson and Malanowski, 1987Based on data from 520. to 625. K.; AC
12.3398.EB,GSStephenson and Malanowski, 1987Based on data from 383. to 473. K. See also Andon, Biddiscombe, et al., 1960, 2 and Dykyj, 1972.; AC
12.3395.N/ADreisbach and Shrader, 1949Based on data from 380. to 455. K. See also Dreisbach and Martin, 1949 and Boublik, Fried, et al., 1984.; AC
11.5434.N/AGoldblum, Martin, et al., 1947Based on data from 414. to 454. 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
380.30 to 454.904.241171509.677-98.949Dreisbach and Shrader, 1949Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
15.6 ± 0.79280.HSAChickos, 1975Based on data from 263. to 298. K.; AC
16.4 ± 0.1282. to 313.GSAndon, Biddiscombe, et al., 1960, 2See also Cox and Pilcher, 1970.; AC
16.3293.MESklyarenko, Markin, et al., 1958Based on data from 283. to 303. K.; AC
16.3292.N/ANitta and Seki, 1948Based on data from 270. to 313. K.; AC
16.2278. to 305.TEBalson, 1947See also Jones, 1960.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.7519314.06Andon, Counsell, et al., 1963DH
2.8979314.13Mastrangelo, 1957DH
2.751314.Inozemtsev, Liakumovich, et al., 1972See also Domalski and Hearing, 1996.; AC
2.5289312.7Eykman, 1889DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
8.762314.06Andon, Counsell, et al., 1963DH
7.96314.Bret-Dibat and Lichanot, 1989CAL
8.08312.7Eykman, 1889DH

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, IR Spectrum, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões

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

phenoxide anion + Hydrogen cation = Phenol

By formula: C6H5O- + H+ = C6H6O

Quantity Value Units Method Reference Comment
Δr349. ± 2.kcal/molAVGN/AAverage of 6 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr342.3 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; Shiner, Vorner, et al., 1986: tautomer acidities ΔHacid(ortho) = 343.9±3.1 kcal, para = 340.1±2 kcal. However, Capponi, Gut, et al., 1999 based on aq. soln. results, imply 18 and 14 kcal/mol difference.; value altered from reference due to change in acidity scale; B
Δr340.8 ± 1.9kcal/molCIDCAngel and Ervin, 2004gas phase; B
Δr343.4 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B
Δr>341.5 ± 1.8kcal/molH-TSRichardson, Stephenson, et al., 1975gas phase; B

Chlorine anion + Phenol = (Chlorine anion • Phenol)

By formula: Cl- + C6H6O = (Cl- • C6H6O)

Quantity Value Units Method Reference Comment
Δr26.0 ± 2.0kcal/molTDAsFrench, Ikuta, et al., 1982gas phase; B,M
Δr26.0 ± 2.0kcal/molTDEqCummings, French, et al., 1977gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B
Δr27.4kcal/molPHPMSKebarle, 1977gas phase; M
Δr26.5kcal/molPHPMSPaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M
Δr19.4 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1971gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSFrench, Ikuta, et al., 1982gas phase; M
Δr25.cal/mol*KPHPMSKebarle, 1977gas phase; M
Δr25.cal/mol*KN/APaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M
Δr15.5cal/mol*KPHPMSYamdagni and Kebarle, 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr19.2 ± 2.0kcal/molTDAsFrench, Ikuta, et al., 1982gas phase; B
Δr18.5 ± 2.0kcal/molTDEqCummings, French, et al., 1977gas phase; Re-anchored to data in French, Ikuta, et al., 1982.; B
Δr14.8 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1971gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.9423.PHPMSPaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M

Fluorine anion + Phenol = (Fluorine anion • Phenol)

By formula: F- + C6H6O = (F- • C6H6O)

Quantity Value Units Method Reference Comment
Δr41.3 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr33.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

Bromine anion + Phenol = (Bromine anion • Phenol)

By formula: Br- + C6H6O = (Br- • C6H6O)

Quantity Value Units Method Reference Comment
Δr20.8 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Δr19.6kcal/molPHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Δr23.cal/mol*KN/APaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr11.1 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.1423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
11.1423.PHPMSPaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M

Iodide + Phenol = (Iodide • Phenol)

By formula: I- + C6H6O = (I- • C6H6O)

Quantity Value Units Method Reference Comment
Δr17.3 ± 1.8kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KN/APaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr8.4 ± 1.0kcal/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.4423.PHPMSPaul and Kebarle, 1990gas phase; Entropy change calculated or estimated; M

MeCO2 anion + Phenol = (MeCO2 anion • Phenol)

By formula: C2H3O2- + C6H6O = (C2H3O2- • C6H6O)

Quantity Value Units Method Reference Comment
Δr26.1 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr24.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr18.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

Sodium ion (1+) + Phenol = (Sodium ion (1+) • Phenol)

By formula: Na+ + C6H6O = (Na+ • C6H6O)

Quantity Value Units Method Reference Comment
Δr24.4 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD
Δr23.5 ± 0.8kcal/molCIDTArmentrout and Rodgers, 2000RCD

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
16.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

Phenol + Phenol, 2,4-bis(1-methylethyl)- = Phenol, 2-(1-methylethyl)- + p-Cumenol

By formula: C6H6O + C12H18O = C9H12O + C9H12O

Quantity Value Units Method Reference Comment
Δr-0.2 ± 0.24kcal/molEqkNesterova, Pimerzin, et al., 1989liquid phase; Isomerization; ALS
Δr-0.16 ± 0.24kcal/molEqkNesterova, Pilyshchikov, et al., 1983liquid phase; GC; ALS

C22H20O2Ti (cr) + 2(Hydrogen chloride • 5.55Water) (solution) = 2Phenol (cr) + Titanocene dichloride (cr)

By formula: C22H20O2Ti (cr) + 2(HCl • 5.55H2O) (solution) = 2C6H6O (cr) + C10H10Cl2Ti (cr)

Quantity Value Units Method Reference Comment
Δr-1.4 ± 0.60kcal/molRSCDias, Salema, et al., 1981Please also see Calhorda, Carrondo, et al., 1986.; MS

Phenol (solution) + C5H11BrMg (solution) = C6H5BrMgO (solution) + Pentane (solution)

By formula: C6H6O (solution) + C5H11BrMg (solution) = C6H5BrMgO (solution) + C5H12 (solution)

Quantity Value Units Method Reference Comment
Δr-48.4 ± 1.0kcal/molRSCHolm, 1983solvent: Diethyl ether; MS

C20H32Zr (solution) + Phenol (solution) = C26H36OZr (solution) + Hydrogen (g)

By formula: C20H32Zr (solution) + C6H6O (solution) = C26H36OZr (solution) + H2 (g)

Quantity Value Units Method Reference Comment
Δr-31.69 ± 0.41kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C26H36OZr (solution) + Phenol (solution) = C32H40O2Zr (solution) + Hydrogen (g)

By formula: C26H36OZr (solution) + C6H6O (solution) = C32H40O2Zr (solution) + H2 (g)

Quantity Value Units Method Reference Comment
Δr-20.7 ± 0.69kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

Acetic acid, phenyl ester + Water = Phenol + Acetic acid

By formula: C8H8O2 + H2O = C6H6O + C2H4O2

Quantity Value Units Method Reference Comment
Δr-6.86 ± 0.04kcal/molCmWadso, 1960liquid phase; Heat of hydrolysis; ALS

Phenol + Phenol, 2,5-bis(1-methylpropyl)- = Phenol, 3-(1-methylpropyl)- + Phenol, 2-(1-methylpropyl)-

By formula: C6H6O + C14H22O = C10H14O + C10H14O

Quantity Value Units Method Reference Comment
Δr-0.62 ± 0.26kcal/molEqkNesterova, Pimerzin, et al., 1989liquid phase; Isomerization; ALS

Phenol + C18H30O = Phenol, 2,4-bis(1-methylpropyl)- + Phenol, 2-(1-methylpropyl)-

By formula: C6H6O + C18H30O = C14H22O + C10H14O

Quantity Value Units Method Reference Comment
Δr-0.41 ± 0.36kcal/molEqkNesterova, Pimerzin, et al., 1989liquid phase; Isomerization; ALS

Phenol + Phenol, 2,4-bis(1-methylpropyl)- = Phenol, 2-(1-methylpropyl)- + Phenol, 4-(1-methylpropyl)-

By formula: C6H6O + C14H22O = C10H14O + C10H14O

Quantity Value Units Method Reference Comment
Δr-0.76 ± 0.45kcal/molEqkNesterova, Pimerzin, et al., 1989liquid phase; Isomerization; ALS

Phenol + 3,5-Bis(2-butyl)phenol = 2Phenol, 3-(1-methylpropyl)-

By formula: C6H6O + C14H22O = 2C10H14O

Quantity Value Units Method Reference Comment
Δr-0.31 ± 0.50kcal/molEqkNesterova, Pimerzin, et al., 1989liquid phase; Isomerization; ALS

C6H5NaO (cr) + (Hydrogen chloride • 552Water) (solution) = Phenol (cr) + sodium chloride (cr)

By formula: C6H5NaO (cr) + (HCl • 552H2O) (solution) = C6H6O (cr) + ClNa (cr)

Quantity Value Units Method Reference Comment
Δr-18.6 ± 1.4kcal/molRSCLeal, Pires de Matos, et al., 1991MS

Phenol + Phenol, 3,5-bis(1,1-dimethylethyl)- = Phenol, m-tert-butyl- + Phenol, p-tert-butyl-

By formula: C6H6O + C14H22O = C10H14O + C10H14O

Quantity Value Units Method Reference Comment
Δr0.02 ± 0.17kcal/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

Phenol + 2,4-Di-tert-butylphenol = Phenol, 2-(1,1-dimethylethyl)- + Phenol, p-tert-butyl-

By formula: C6H6O + C14H22O = C10H14O + C10H14O

Quantity Value Units Method Reference Comment
Δr-0.0 ± 0.9kcal/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

(Lithium ion (1+) • Phenol) + Phenol = (Lithium ion (1+) • 2Phenol)

By formula: (Li+ • C6H6O) + C6H6O = (Li+ • 2C6H6O)

Quantity Value Units Method Reference Comment
Δr27.4 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Sodium ion (1+) • Phenol) + Phenol = (Sodium ion (1+) • 2Phenol)

By formula: (Na+ • C6H6O) + C6H6O = (Na+ • 2C6H6O)

Quantity Value Units Method Reference Comment
Δr19.5 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Cesium ion (1+) • Phenol) + Phenol = (Cesium ion (1+) • 2Phenol)

By formula: (Cs+ • C6H6O) + C6H6O = (Cs+ • 2C6H6O)

Quantity Value Units Method Reference Comment
Δr14.5 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Rubidium ion (1+) • Phenol) + Phenol = (Rubidium ion (1+) • 2Phenol)

By formula: (Rb+ • C6H6O) + C6H6O = (Rb+ • 2C6H6O)

Quantity Value Units Method Reference Comment
Δr15.2 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

(Potassium ion (1+) • Phenol) + Phenol = (Potassium ion (1+) • 2Phenol)

By formula: (K+ • C6H6O) + C6H6O = (K+ • 2C6H6O)

Quantity Value Units Method Reference Comment
Δr16.3 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

Phenol (cr) + C10H11ClZr (cr) = C16H15ClOZr (cr) + Hydrogen (g)

By formula: C6H6O (cr) + C10H11ClZr (cr) = C16H15ClOZr (cr) + H2 (g)

Quantity Value Units Method Reference Comment
Δr-18.6 ± 1.0kcal/molRSCDiogo, Simoni, et al., 1993MS

Phenol + Phenol, 2,6-bis(1,1-dimethylethyl)- = 2Phenol, 2-(1,1-dimethylethyl)-

By formula: C6H6O + C14H22O = 2C10H14O

Quantity Value Units Method Reference Comment
Δr-3.05 ± 0.13kcal/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

Phenol + Phenol, 2,5-bis(1,1-dimethylethyl)- = Phenol, m-tert-butyl- + Phenol, 2-(1,1-dimethylethyl)-

By formula: C6H6O + C14H22O = C10H14O + C10H14O

Quantity Value Units Method Reference Comment
Δr0.0kcal/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase; ALS

C6H5NaO (cr) + Water (l) = Phenol (cr) + Sodium hydroxide (cr)

By formula: C6H5NaO (cr) + H2O (l) = C6H6O (cr) + HNaO (cr)

Quantity Value Units Method Reference Comment
Δr5.11 ± 0.86kcal/molRSCLeal, Pires de Matos, et al., 1991MS

Lithium ion (1+) + Phenol = (Lithium ion (1+) • Phenol)

By formula: Li+ + C6H6O = (Li+ • C6H6O)

Quantity Value Units Method Reference Comment
Δr42.6 ± 4.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

Cesium ion (1+) + Phenol = (Cesium ion (1+) • Phenol)

By formula: Cs+ + C6H6O = (Cs+ • C6H6O)

Quantity Value Units Method Reference Comment
Δr15.7 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

Rubidium ion (1+) + Phenol = (Rubidium ion (1+) • Phenol)

By formula: Rb+ + C6H6O = (Rb+ • C6H6O)

Quantity Value Units Method Reference Comment
Δr16.6 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

Potassium ion (1+) + Phenol = (Potassium ion (1+) • Phenol)

By formula: K+ + C6H6O = (K+ • C6H6O)

Quantity Value Units Method Reference Comment
Δr17.7 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

Phenol, 2-(1-methylpropyl)- = 1-Butene + Phenol

By formula: C10H14O = C4H8 + C6H6O

Quantity Value Units Method Reference Comment
Δr18.6kcal/molCmKukui, Potolovskii, et al., 1973liquid phase; ALS

Phenol, 4-(1-methylpropyl)- = 1-Butene + Phenol

By formula: C10H14O = C4H8 + C6H6O

Quantity Value Units Method Reference Comment
Δr19.8kcal/molCmKukui, Potolovskii, et al., 1973liquid phase; ALS

Phenol, p-tert-butyl- = Phenol + 1-Propene, 2-methyl-

By formula: C10H14O = C6H6O + C4H8

Quantity Value Units Method Reference Comment
Δr17.0 ± 0.50kcal/molEqkVerevkin, 1982gas phase; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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

Spectrum

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on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1994
NIST MS number 133909

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References