Benzeneacetic acid, α-phenyl-
- Formula: C14H12O2
- Molecular weight: 212.2439
- IUPAC Standard InChIKey: PYHXGXCGESYPCW-UHFFFAOYSA-N
- CAS Registry Number: 117-34-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Acetic acid, diphenyl-; α-Toluic acid, α-phenyl-; Diphenylacetic acid; Diphenylethanoic acid; α,α-Diphenylacetic acid; DPA
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Phase change data
Go To: Top, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 420.15 | K | N/A | Anonymous, 1988 | Uncertainty assigned by TRC = 1. K; nominal value, from the catalog; TRC |
Tfus | 420.75 | K | N/A | Marsh, 1987 | Uncertainty assigned by TRC = 0.2 K; recommended as fixed point for thermometry; TRC |
Tfus | 420.7 | K | N/A | Smith, Alderman, et al., 1949 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tfus | 419. | K | N/A | Barnes and McElvain, 1937 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 420.440 | K | N/A | Andon and Connett, 1980 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 11.17 | kcal/mol | C | Glaser and Ruland, 1957 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.452 | 420.4 | Charsley, Laye, et al., 2010 | AC |
7.469 | 420.4 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
7.4739 | 420.441 | crystaline, I | liquid | Andon and Connett, 1980, 2 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
17.78 | 420.441 | crystaline, I | liquid | Andon and Connett, 1980, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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-6886 |
NIST MS number | 235960 |
References
Go To: Top, Phase change data, 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.
Anonymous, 1988
Anonymous, X.,
, NBS Spec. Publ. (U. S.) 260, 1988. [all data]
Marsh, 1987
Marsh, K.N.,
Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Sci. Pub., Oxford, 1987. [all data]
Smith, Alderman, et al., 1949
Smith, H.A.; Alderman, D.M.; Shacklett, C.D.; Welch, C.M.,
The Catalytic Hydrogenation of the Benzene Nucleus VI. The Hydrogenation of Compounds with Two Benzene Rings,
J. Am. Chem. Soc., 1949, 71, 3772. [all data]
Barnes and McElvain, 1937
Barnes, H.M.; McElvain, S.M.,
Further Observations on the Condensation of Benzene with Alloxan,
J. Am. Chem. Soc., 1937, 59, 2348-51. [all data]
Andon and Connett, 1980
Andon, R.J.L.; Connett, J.E.,
Calibrants for thermal analysis. measurement of their enthalpies of fusion by adiabatic calorimetry.,
Thermochim. Acta, 1980, 42, 241. [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]
Charsley, Laye, et al., 2010
Charsley, E.L.; Laye, P.G.; Markham, H.M.; Le Goff, T.,
Calibration of differential scanning calorimeters: A comparison between indium and diphenylacetic acid,
Thermochimica Acta, 2010, 497, 1-2, 72-76, https://doi.org/10.1016/j.tca.2009.08.010
. [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]
Andon and Connett, 1980, 2
Andon, R.J.L.; Connett, J.E.,
Calibrants for thermal analysis. Measurement of their enthalpies of fusion by adiabatic calorimetry,
Thermochim. Acta, 1980, 42, 241-247. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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