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

Benzenemethanol, «alpha»,«alpha»-diphenyl-

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.


Condensed phase thermochemistry data

Go To: Top, 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:
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
Deltafsolid-0.59 ± 0.54kcal/molCcbParks, Manchester, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -0.80 ± 0.60 kcal/mol; ALS
Deltafsolid8.49kcal/molCcbSchmidlin, 1906ALS
Quantity Value Units Method Reference Comment
Deltacsolid-2332.90 ± 0.52kcal/molCcbParks, Manchester, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -2332.73 kcal/mol; Corresponding «DELTA»fsolid = -0.59 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-2342.0kcal/molCcbSchmidlin, 1906Corresponding «DELTA»fsolid = 8.5 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
76.20298.5Smith and Andrews, 1931T = 102 to 346 K. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Condensed phase 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:
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
Tboil633.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus434.65KN/AZeiss and Tsutsui, 1953Uncertainty assigned by TRC = 1.5 K; TRC
Tfus433.65KN/ALewis and Wright, 1952Uncertainty assigned by TRC = 1.5 K; TRC
Tfus399.KN/AAdkins, Zartman, et al., 1931Uncertainty assigned by TRC = 1.5 K; TRC
Tfus435.6KN/ASmith and Andrews, 1931, 2Uncertainty assigned by TRC = 0.3 K; m.p. by Hg thermometer; TRC
Tfus435.35KN/ASmith and Andrews, 1931, 2Uncertainty assigned by TRC = 0.3 K; f.p. by thermocouple; TRC
Quantity Value Units Method Reference Comment
Deltasub29.11 ± 0.41kcal/molGSVerevkin, 1998AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
29.2363.AStephenson and Malanowski, 1987Based on data from 353. - 373. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
6.511441.1DSCVerevkin, 1998AC

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:


IR Spectrum

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

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

Mass 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

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 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-2659
NIST MS number 231671

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.


References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]

Zeiss and Tsutsui, 1953
Zeiss, H.H.; Tsutsui, M., The Carbon-Oxygen Absorption Band in the Infrared Spectra of Alcohols, J. Am. Chem. Soc., 1953, 75, 897. [all data]

Lewis and Wright, 1952
Lewis, R.N.; Wright, J.R., J. Am. Chem. Soc., 1952, 74, 1253. [all data]

Adkins, Zartman, et al., 1931
Adkins, H.; Zartman, W.H.; Cramer, H., The Hydrogention of Certain Branched Compounds Over Nickel, J. Am. Chem. Soc., 1931, 53, 1425. [all data]

Smith and Andrews, 1931, 2
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. [all data]

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


Notes

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