Benzenemethanol, α-phenyl-

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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
Δfsolid-105.3 ± 2.1kJ/molCcbParks, Manchester, et al., 1954ALS
Δfsolid-77.8kJ/molCcbSchmidlin, 1906ALS
Quantity Value Units Method Reference Comment
Δcsolid-6725.45kJ/molCcbParks, Manchester, et al., 1954Corresponding Δfsolid = -105.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-6752.6kJ/molCcbSchmidlin, 1906Corresponding Δfsolid = -78.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
236.8298.5Smith and Andrews, 1931T = 102 to 299 K. Value is unsmoothed experimental datum.; 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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil570.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil341.15KN/AWolff, 1912Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tfus339. ± 3.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap83.0 ± 0.7kJ/molGSVerevkin, 1998Based on data from 342. to 373. K.; AC
Quantity Value Units Method Reference Comment
Δsub105.7 ± 0.7kJ/molGSVerevkin, 1998, 2Based on data from 301. to 335. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
570.70.997Weast and Grasselli, 1989BS
453.20.027Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
79.4 ± 0.7358.GSVerevkin, 1998Based on data from 342. to 373. K.; AC
65.4453.AStephenson and Malanowski, 1987Based on data from 438. to 574. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
383. to 574.7.039864617.24482.557Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
104.5 ± 0.7318.GSVerevkin, 1998, 2Based on data from 301. to 335. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
22.995338.5Cingolani and Berchiesi, 1974DH
23.0338.5Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
67.95338.5Cingolani and Berchiesi, 1974DH

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 Chromatography

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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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5MS1654.7Tretyakov, 201430. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C
CapillarySE-541652.Kostiainen, 200025. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedCarbowax 20M3187.Janos and Oros, 1990Nitrogen, Chromosorb G (80-100 mesh); Column length: 1.2 m; Program: not specified

References

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

Parks, Manchester, et al., 1954
Parks, G.S.; Manchester, K.E.; Vaughan, L.M., Heats of combustion and formation of some alcohols, phenols, and ketones, J. Chem. Phys., 1954, 22, 2089-2090. [all data]

Schmidlin, 1906
Schmidlin, M.J., Recherches chimiques et thermochimiques sur la constitution des rosanilines, Ann. Chim. Phys., 1906, 1, 195-256. [all data]

Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H., Thermal energy studies. I. Phenyl derivatives of methane, ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Wolff, 1912
Wolff, L., Methods of Substituting An Oxygen Atom with Hydrogen in Ketones and Aldehydes, Justus Liebigs Ann. Chem., 1912, 394, 86. [all data]

Verevkin, 1998
Verevkin, Sergey P., Thermochemistry of phenols: experimental standard molar enthalpies of formation of 2-phenylphenol, 4-phenylphenol, 2,6-diphenylphenol, and 2,2´- and 4,4´-dihydroxybiphenyl, The Journal of Chemical Thermodynamics, 1998, 30, 3, 389-396, https://doi.org/10.1006/jcht.1997.0316 . [all data]

Verevkin, 1998, 2
Verevkin, Sergey P., Structural Chemistry, 1998, 9, 5, 375-382, https://doi.org/10.1023/A:1022471228499 . [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Cingolani and Berchiesi, 1974
Cingolani, A.; Berchiesi, G., Thermodynamic properties of organic compounds. 1. A DSC study of phase transitions in aliphatic dicarboxylic acids, J. Therm. Anal., 1974, 6, 87-90. [all data]

Domalski and Hearing, 1996
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]

Tretyakov, 2014
Tretyakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Kostiainen, 2000
Kostiainen, O., Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979. [all data]

Janos and Oros, 1990
Janos, E.; Oros, G., Reversed-phase thin layer and gas chromatographic retention behaviour of triphenylmethane derivatives, J. Chromatogr., 1990, 520, 217-222, https://doi.org/10.1016/0021-9673(90)85105-5 . [all data]


Notes

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