Phenol, 4,4'-(1-methylethylidene)bis-

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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-349.4 ± 1.7kJ/molCcbLarina and Novoselova, 1982ALS
Δfsolid-368.6 ± 1.8kJ/molCcbHubbard, Knowlton, et al., 1948Reanalyzed by Cox and Pilcher, 1970, Original value = -369. ± 2. kJ/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-7840.0 ± 1.7kJ/molCcbLarina and Novoselova, 1982Corresponding Δfsolid = -349.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-7820.7 ± 1.7kJ/molCcbHubbard, Knowlton, et al., 1948Reanalyzed by Cox and Pilcher, 1970, Original value = -7820. ± 2. kJ/mol; Corresponding Δfsolid = -368.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar287.7J/mol*KN/ANovoselova, Tsvetkova, et al., 1985DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
287.72298.15Novoselova, Tsvetkova, et al., 1985T = 14 to 480 K.; 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
Tfus431.KN/AVaiser, Ryabov, et al., 1960Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Ttriple433.KN/ANovoselova, Tsvetkova, et al., 1985, 2Uncertainty assigned by TRC = 1. K; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
493.20.005Weast and Grasselli, 1989BS
523. to 525.0.017Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
102.2481.AStephenson and Malanowski, 1987Based on data from 466. to 634. K. See also Stull, 1947.; 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
466. to 633.77.596994619.198-25.179Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
30.100433.Novoselova, Tsvetkova, et al., 1985DH
30.1433.Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
69.6433.Novoselova, Tsvetkova, et al., 1985DH

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

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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, Gas Chromatography, 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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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 291215

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.


Gas Chromatography

Go To: Top, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1012108.Yasuhara, Shiraishi, et al., 199715. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS2108.Xu, Han, et al., 201230. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryHP-5 MS2108.Xu, Han, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone359.41Eckel, Ross, et al., 1993Program: not specified

References

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

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

Larina and Novoselova, 1982
Larina, V.N.; Novoselova, N.V., Heat of combustion of polycarbonate and 2,2-bis(4-hydroxyphenyl)propane, Termodin. Organ. Soedin., 1982, 110-112. [all data]

Hubbard, Knowlton, et al., 1948
Hubbard, W.N.; Knowlton, J.W.; Huffman, H.M., The heat of combusion of 2,2'-bis-(4-hydroxyphenyl)-propane, J. Am. Chem. Soc., 1948, 70, 3259-3261. [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]

Novoselova, Tsvetkova, et al., 1985
Novoselova, N.V.; Tsvetkova, L.Ya.; Rabinovich, I.B.; Moseeva, E.M.; Faminskaya, L.A., Specific heat and thermodynamic functions of 4,4'-dihydroxydiphenyl-2,2-propane, 4,4'-dichlorodiphenylsulphone, and polysulphone, Zhur. Fiz. Khim., 1985, 59, 604-608. [all data]

Vaiser, Ryabov, et al., 1960
Vaiser, V.L.; Ryabov, V.D.; Piryatinskii, B.M., Preparation of Vinylphenol by Catalystic Cracking of Certain Dihydrodiaryl- alkanes, Dokl. Akad. Nauk SSSR, 1960, 132, 349. [all data]

Novoselova, Tsvetkova, et al., 1985, 2
Novoselova, N.V.; Tsvetkova, L.Ya.; Rabinovich, I.B.; Moseeva, E.M.; Faminskaya, L.A., Heat Capacity and Thermodynamic Functions of 4,4'-Dihydroxydiphenyl- 2,2-propane, 4,4'-Dichlorodiphenyl sulfone and Polysulfone, Zh. Fiz. Khim., 1985, 59, 604. [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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 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]

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]

Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y., Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry, J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2 . [all data]

Xu, Han, et al., 2012
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K., Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, 2012, retrieved from http://www.thefreelibrary.com/Comparative .... [all data]

Xu, Han, et al., 2009
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K., Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, Phytomedicine: Int. J. Phytotherapy Phytopharmacology, 2009, 16, 6-7, 609-616, https://doi.org/10.1016/j.phymed.2009.03.014 . [all data]

Eckel, Ross, et al., 1993
Eckel, W.P.; Ross, B.; Isensee, R.K., Pentobarbital found in ground water, Ground Water, 1993, 31, 5, 801-804, https://doi.org/10.1111/j.1745-6584.1993.tb00853.x . [all data]


Notes

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