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

• Formula: C₁₅H₁₆O₂
• Molecular weight: 228.2863
• IUPAC Standard InChI: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 Copy

  
• IUPAC Standard InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N Copy
• CAS Registry Number: 80-05-7
• 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: Phenol, 4,4'-isopropylidenedi-; p,p'-Isopropylidenebisphenol; p,p'-Isopropylidenediphenol; Biphenol A; Bisphenol A; Dian; Diano; Diphenylolpropane; Parabis A; Phenol, (1-methylethylidene)bis-; Pluracol 245; 2,2-Bis(hydroxyphenyl)propane; 2,2-Bis(p-hydroxyphenyl)propane; 2,2-Bis(4-hydroxyphenyl)propane; 4,4'-Isopropylidenebis[phenol]; 4,4'-Isopropylidenediphenol; Bis(4-hydroxyphenyl) dimethylmethane; p,p'-Dihydroxydiphenyldimethylmethane; 4,4'-Dihydroxydiphenyldimethylmethane; p,p'-Dihydroxydiphenylpropane; 4,4'-Dihydroxydiphenylpropane; 2,2-(4,4'-Dihydroxydiphenyl)propane; 4,4'-Dihydroxy-2,2-diphenylpropane; 4,4'-Dihydroxydiphenyl-2,2-propane; β-di-p-hydroxyphenylpropane; 2,2-Di(4-hydroxyphenyl)propane; Dimethyl bis(p-hydroxyphenyl)methane; Dimethylmethylene-p,p'-diphenol; 2,2-Di(4-phenylol)propane; di-2,2-(4-Hydroxyphenyl)propane; 2,2-di-(4'-Hydroxyphenyl)-propane; β,β'-Bis(p-hydroxyphenyl)propane; p,p'-Bisphenol A; Bis(p-hydroxyphenyl)propane; Bisferol A; Bisphenol; Isopropylidenebis(4-hydroxybenzene); NCI-C50635; Phenol, 4,4'-dimethylmethylenedi-; Propane, 2,2-bis(p-hydroxyphenyl)-; 2,2-Bis-4'-hydroxyfenylpropan; 4,4'-(1-Methylethylidene)bisphenol; 4,4'-Bisphenol A; 4,4-Isopropylidenediphenol; Ipognox 88; Rikabanol; 2,2-(4,4-Dihydroxydiphenyl)propane; 2,2-Bis (4-hydroxyphenol) propane; 2,2-Bis(4,4'-hydroxyphenyl)propane; 4,4'-Dihydroxdiphenylpropane; Parabis; 2,2-Bis(4'-hydroxyphenyl)propane; BPA 157; 4,4-(1-Methylethylidene)-bis-phenol
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• Information on this page:
  • Phase change data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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

Reduced pressure boiling point

Enthalpy of vaporization

Antoine Equation Parameters

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

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Enthalpy of fusion

Entropy of fusion

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, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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

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References

Go To: Top, Phase change data, Gas Chromatography, Notes

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

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
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]

Novoselova, Tsvetkova, et al., 1985, 2
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]

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

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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